1-(2-chloroethyl)-1-(4-methylphenyl)-4-(phenylcarbonyl)piperazin-1-ium-2-one

Systemtic Name: 1-(2-chloroethyl)-1-(4-methylphenyl)-4-(phenylcarbonyl)piperazin-1-ium-2-one Openeye Name: 4-benzoyl-1-(2-chloroethyl)-1-(p-tolyl)piperazin-1-ium-2-one CAS Name: 4-benzoyl-1-(2-chloroethyl)-1-(4-methylphenyl)-2-piperazin-1-iumone IUPAC Name: 4-benzoyl-1-(2-chloroethyl)-1-(4-methylphenyl)piperazin-1-ium-2-one Traditional Name: 4-benzoyl-1-(2-chloroethyl)-1-(p-tolyl)piperazin-1-ium-2-one Formula: C20H22ClN2O2+ MolecularWeight: 357.85388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2(CCN(CC2=O)C(=O)C3=CC=CC=C3)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2(CCN(CC2=O)C(=O)C3=CC=CC=C3)CCCl

InChI

InChI=1S/C20H22ClN2O2/c1-16-7-9-18(10-8-16)23(13-11-21)14-12-22(15-19(23)24)20(25)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/q+1