1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C21H27N3O+2 MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C21H25N3O/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/h2-9H,10-16H2,1H3/p+2