(4S)-1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one CAS Name: (4S)-1-(3,4-dimethylphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one Traditional Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(3,4-dimethylphenyl)-2-pyrrolidone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O2/c1-18-8-9-22(14-19(18)2)27-17-21(15-23(27)28)24(29)26-12-10-25(11-13-26)16-20-6-4-3-5-7-20/h3-9,14,21H,10-13,15-17H2,1-2H3/p+1/t21-/m0/s1