ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C31H37ClN2O2 MolecularWeight: 505.09068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C31H36N2O2.ClH/c1-2-35-30(34)31(27-13-4-3-5-14-27)19-23-32(24-20-31)21-10-22-33-28-15-8-6-11-25(28)17-18-26-12-7-9-16-29(26)33;/h3-9,11-16H,2,10,17-24H2,1H3;1H