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

Systemtic Name: methyl 1-[[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-14-5-6-19(15(2)11-14)24(16(3)25)21-22-18(13-28-21)12-23-9-7-17(8-10-23)20(26)27-4/h5-6,11,13,17H,7-10,12H2,1-4H3/p+1