1-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-18-5-2-6-19(15-18)17-24-11-13-25(14-12-24)23(28)20-7-3-8-21(16-20)26-10-4-9-22(26)27/h2-3,5-8,15-16H,4,9-14,17H2,1H3/p+1