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

Systemtic Name: N-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-18-7-9-21(10-8-18)27-17-20(15-22(27)28)24-23(29)26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,29)/p+1/t20-/m0/s1