1-[5-chloranyl-2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[5-chloranyl-2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[5-chloro-2-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[5-chloro-2-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[5-chloro-2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[5-chloro-2-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)N4CCCC4=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)N4CCCC4=O

InChI

InChI=1S/C23H26ClN3O2/c1-17-5-2-3-6-18(17)16-25-11-13-26(14-12-25)23(29)20-9-8-19(24)15-21(20)27-10-4-7-22(27)28/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3/p+1