1-[2-chloranyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-chloranyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[2-chloro-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-chloro-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-chloro-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-chloro-5-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

InChI

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