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

Systemtic Name: 4-ethyl-N-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-ethyl-N-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H26N4O2/c1-3-20-8-10-21(11-9-20)18(24)19-15-12-17(23)22(13-15)16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,24)/p+1/t15-/m0/s1