2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)CN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)CN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H24N4O2S/c1-14-6-5-9-24(10-14)11-16-13-28-21(22-16)23-19(26)12-25-15(2)17-7-3-4-8-18(17)20(25)27/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,22,23,26)/p+1/t14-/m0/s1