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

Systemtic Name: ethyl N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-2-31-25(30)26-21-13-12-20-11-10-19-8-4-5-9-22(19)28(23(20)18-21)24(29)14-17-27-15-6-3-7-16-27/h4-5,8-9,12-13,18H,2-3,6-7,10-11,14-17H2,1H3,(H,26,30)/p+1