Azonosítás

trans-Monoacrylate

Nincs megadva · C32H44NO8+

01Azonosítás

Lazychem ID	LC-34366
CAS RN	Nincs megadva
PubChem CID	139025640
Molecular formula	C32H44NO8+
Molecular weight	570.7 g/mol
IUPAC name	5-prop-2-enoyloxypentyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKey	JFTNADUFFQXKTQ-NYFMKLKXSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of trans-Monoacrylate — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)C=C
InChI	Nincs megadva

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.