ethyl N-[11-(2-piperidin-1-ium-1-ylethanoyl)benzo[b][1]benzazepin-2-yl]carbamate

Systemtic Name: ethyl N-[11-(2-piperidin-1-ium-1-ylethanoyl)benzo[b][1]benzazepin-2-yl]carbamate Openeye Name: ethyl N-[11-(2-piperidin-1-ium-1-ylacetyl)benzo[b][1]benzazepin-2-yl]carbamate CAS Name: N-[11-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-2-benzo[b][1]benzazepinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[11-(2-piperidin-1-ium-1-ylacetyl)benzo[b][1]benzazepin-2-yl]carbamate Traditional Name: N-[11-(2-piperidin-1-ium-1-ylacetyl)benzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=CC3=CC=CC=C3N2C(=O)C[NH+]4CCCCC4)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=CC3=CC=CC=C3N2C(=O)C[NH+]4CCCCC4)C=C1

InChI

InChI=1S/C24H27N3O3/c1-2-30-24(29)25-20-13-12-19-11-10-18-8-4-5-9-21(18)27(22(19)16-20)23(28)17-26-14-6-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3,(H,25,29)/p+1