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

Systemtic Name: propan-2-yl N-[11-(3-piperidin-1-ium-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-19(2)32-26(31)27-22-13-12-21-11-10-20-8-4-5-9-23(20)29(24(21)18-22)25(30)14-17-28-15-6-3-7-16-28/h4-5,8-9,12-13,18-19H,3,6-7,10-11,14-17H2,1-2H3,(H,27,31)/p+1