1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C28H39N4O+ MolecularWeight: 447.63546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N

InChI

InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)/p+1