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

Systemtic Name: 1-[[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C24H29N3O2/c1-19-5-2-6-20(15-19)17-25-11-13-26(14-12-25)24(29)22-8-3-7-21(16-22)18-27-10-4-9-23(27)28/h2-3,5-8,15-16H,4,9-14,17-18H2,1H3/p+1