2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C23H30ClN4O+ MolecularWeight: 413.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29ClN4O/c1-19-7-8-20(24)17-22(19)27-11-9-25(10-12-27)18-23(29)28-15-13-26(14-16-28)21-5-3-2-4-6-21/h2-8,17H,9-16,18H2,1H3/p+1