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

Systemtic Name: N-tert-butyl-4-[2-[(2R,5S)-5-ethyl-2-(2-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-tert-butyl-4-[2-[(2R,5S)-5-ethyl-2-(o-tolyl)-4-oxo-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-tert-butyl-4-[2-[(2R,5S)-5-ethyl-2-(2-methylphenyl)-4-oxo-3-thiazolidinyl]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-tert-butyl-4-[2-[(2R,5S)-5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-tert-butyl-4-[2-[(2R,5S)-5-ethyl-4-keto-2-(o-tolyl)thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(S1)C2=CC=CC=C2C)CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

CC[C@H]1C(=O)N([C@H](S1)C2=CC=CC=C2C)CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C23H36N4O2S/c1-6-19-20(28)27(21(30-19)18-10-8-7-9-17(18)2)16-13-25-11-14-26(15-12-25)22(29)24-23(3,4)5/h7-10,19,21H,6,11-16H2,1-5H3,(H,24,29)/p+1/t19-,21+/m0/s1