2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone Formula: C26H27ClN3O+ MolecularWeight: 432.96508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H26ClN3O/c27-22-8-5-9-23(18-22)29-16-14-28(15-17-29)19-26(31)30-24-10-3-1-6-20(24)12-13-21-7-2-4-11-25(21)30/h1-11,18H,12-17,19H2/p+1