methyl N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

Systemtic Name: methyl N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Openeye Name: methyl N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate CAS Name: N-[11-[1-oxo-3-(1-piperidin-1-iumyl)propyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Traditional Name: N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid methyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CC[NH+]4CCCCC4)C=C1

Isomeric SMILES

COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CC[NH+]4CCCCC4)C=C1

InChI

InChI=1S/C24H29N3O3/c1-30-24(29)25-20-12-11-19-10-9-18-7-3-4-8-21(18)27(22(19)17-20)23(28)13-16-26-14-5-2-6-15-26/h3-4,7-8,11-12,17H,2,5-6,9-10,13-16H2,1H3,(H,25,29)/p+1