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

Systemtic Name: 4-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2/c1-13-3-5-15(6-4-13)21-12-14(11-16(21)22)18-17(23)20-9-7-19(2)8-10-20/h3-6,14H,7-12H2,1-2H3,(H,18,23)/p+1/t14-/m0/s1