1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride

Systemtic Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride Openeye Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride CAS Name: 1-[3-(11-benzo[b][1]benzazepinyl)propyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide dichloride IUPAC Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride Traditional Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride Formula: C28H38Cl2N4O MolecularWeight: 517.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C28H36N4O.2ClH/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;;/h2-5,9-14H,1,6-8,15-22H2,(H2,29,33);2*1H