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

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C26H28N3O+ MolecularWeight: 398.52002

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O/c30-26(20-27-16-18-28(19-17-27)23-10-2-1-3-11-23)29-24-12-6-4-8-21(24)14-15-22-9-5-7-13-25(22)29/h1-13H,14-20H2/p+1