2-(azepan-1-ium-1-yl)-1-benzo[b][1]benzazepin-11-yl-ethanone chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-benzo[b][1]benzazepin-11-yl-ethanone chloride Openeye Name: 2-(azepan-1-ium-1-yl)-1-benzo[b][1]benzazepin-11-yl-ethanone chloride CAS Name: 2-(1-azepan-1-iumyl)-1-(11-benzo[b][1]benzazepinyl)ethanone chloride IUPAC Name: 2-(azepan-1-ium-1-yl)-1-benzo[b][1]benzazepin-11-ylethanone chloride Traditional Name: 2-(azepan-1-ium-1-yl)-1-benzo[b][1]benzazepin-11-yl-ethanone chloride Formula: C22H25ClN2O MolecularWeight: 368.8997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C22H24N2O.ClH/c25-22(17-23-15-7-1-2-8-16-23)24-20-11-5-3-9-18(20)13-14-19-10-4-6-12-21(19)24;/h3-6,9-14H,1-2,7-8,15-17H2;1H