2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C22H28ClN4O+ MolecularWeight: 399.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H27ClN4O/c23-19-5-4-8-21(17-19)26-11-9-24(10-12-26)18-22(28)27-15-13-25(14-16-27)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2/p+1