1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride

Systemtic Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride Openeye Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride CAS Name: 1-(11-benzo[b][1]benzazepinyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone dichloride IUPAC Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride Traditional Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride Formula: C21H25Cl2N3O MolecularWeight: 406.3487

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.[Cl-].[Cl-]

InChI

InChI=1S/C21H23N3O.2ClH/c1-22-12-14-23(15-13-22)16-21(25)24-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)24;;/h2-11H,12-16H2,1H3;2*1H