(2S)-2-(2-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazolidin-4-one

Systemtic Name: (2S)-2-(2-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazolidin-4-one Openeye Name: (2S)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-(o-tolyl)thiazolidin-4-one CAS Name: (2S)-2-(2-methylphenyl)-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-thiazolidinone IUPAC Name: (2S)-2-(2-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one Traditional Name: (2S)-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(o-tolyl)thiazolidin-4-one Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2N(C(=O)CS2)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1[C@H]2N(C(=O)CS2)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N3O2S/c1-13-5-3-4-6-14(13)17-20(16(22)12-23-17)11-15(21)19-9-7-18(2)8-10-19/h3-6,17H,7-12H2,1-2H3/p+1/t17-/m0/s1