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

Systemtic Name: [4-aminocarbonyl-1-(3-benzo[b][1]benzazepin-11-ylpropyl)piperidin-1-ium-4-yl]-dimethyl-azanium dichloride Openeye Name: [1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoyl-piperidin-1-ium-4-yl]-dimethyl-ammonium dichloride CAS Name: [1-[3-(11-benzo[b][1]benzazepinyl)propyl]-4-carbamoyl-4-piperidin-1-iumyl]-dimethylammonium dichloride IUPAC Name: [1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoylpiperidin-1-ium-4-yl]-dimethylazanium dichloride Traditional Name: [1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoyl-piperidin-1-ium-4-yl]-dimethyl-ammonium dichloride Formula: C25H34Cl2N4O MolecularWeight: 477.46966

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C25H32N4O.2ClH/c1-27(2)25(24(26)30)14-18-28(19-15-25)16-7-17-29-22-10-5-3-8-20(22)12-13-21-9-4-6-11-23(21)29;;/h3-6,8-13H,7,14-19H2,1-2H3,(H2,26,30);2*1H