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

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Formula: C22H29N3O+2 MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-2-23-13-15-24(16-14-23)17-22(26)25-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)25/h3-10H,2,11-17H2,1H3/p+2