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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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