1-[[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(N-acetyl-2,3-dimethylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N)C(=O)C)C

InChI

InChI=1S/C20H26N4O2S/c1-13-5-4-6-18(14(13)2)24(15(3)25)20-22-17(12-27-20)11-23-9-7-16(8-10-23)19(21)26/h4-6,12,16H,7-11H2,1-3H3,(H2,21,26)/p+1