Identität

N-Methylscopolamine

Nicht angegeben · C18H24NO4+

01Identität

Lazychem ID	LC-53130
CAS RN	Nicht angegeben
PubChem CID	71183
Molecular formula	C18H24NO4+
Molecular weight	318.4 g/mol
IUPAC name	[(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
InChIKey	LZCOQTDXKCNBEE-XJMZPCNVSA-N

02Struktur und Stereochemie

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

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.