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

Systemtic Name: ethyl 1-[[2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(3,4-dimethylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(3,4-dimethylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(3,4-dimethylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CSC(=N2)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CSC(=N2)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H27N3O2S/c1-4-25-19(24)16-7-9-23(10-8-16)12-18-13-26-20(22-18)21-17-6-5-14(2)15(3)11-17/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,21,22)/p+1