N-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2/c1-18-8-9-22(14-19(18)2)28-17-21(15-23(28)29)25-24(30)27-12-10-26(11-13-27)16-20-6-4-3-5-7-20/h3-9,14,21H,10-13,15-17H2,1-2H3,(H,25,30)/p+1/t21-/m0/s1