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

Systemtic Name: 4-[2-[(2S,5R)-5-methyl-2-(2-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-yl-piperazin-4-ium-1-carboxamide Openeye Name: N-isopropyl-4-[2-[(2S,5R)-5-methyl-2-(o-tolyl)-4-oxo-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[(2S,5R)-5-methyl-2-(2-methylphenyl)-4-oxo-3-thiazolidinyl]ethyl]-N-propan-2-yl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[(2S,5R)-5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazin-4-ium-1-carboxamide Traditional Name: N-isopropyl-4-[2-[(2S,5R)-4-keto-5-methyl-2-(o-tolyl)thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(S1)C2=CC=CC=C2C)CC[NH+]3CCN(CC3)C(=O)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-15(2)22-21(27)24-12-9-23(10-13-24)11-14-25-19(26)17(4)28-20(25)18-8-6-5-7-16(18)3/h5-8,15,17,20H,9-14H2,1-4H3,(H,22,27)/p+1/t17-,20+/m1/s1