N-ethyl-4-[2-[(2R,5S)-5-methyl-2-(2-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-ethyl-4-[2-[(2R,5S)-5-methyl-2-(2-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-ethyl-4-[2-[(2R,5S)-5-methyl-2-(o-tolyl)-4-oxo-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-ethyl-4-[2-[(2R,5S)-5-methyl-2-(2-methylphenyl)-4-oxo-3-thiazolidinyl]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-ethyl-4-[2-[(2R,5S)-5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-ethyl-4-[2-[(2R,5S)-4-keto-5-methyl-2-(o-tolyl)thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CC[NH+](CC1)CCN2C(SC(C2=O)C)C3=CC=CC=C3C

Isomeric SMILES

CCNC(=O)N1CC[NH+](CC1)CCN2[C@H](S[C@H](C2=O)C)C3=CC=CC=C3C

InChI

InChI=1S/C20H30N4O2S/c1-4-21-20(26)23-12-9-22(10-13-23)11-14-24-18(25)16(3)27-19(24)17-8-6-5-7-15(17)2/h5-8,16,19H,4,9-14H2,1-3H3,(H,21,26)/p+1/t16-,19+/m0/s1