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

Systemtic Name: methyl 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[2-(4-chlorophenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-chlorophenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H20ClN2O2S+ MolecularWeight: 351.8709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O2S/c1-22-17(21)13-6-8-20(9-7-13)10-15-11-23-16(19-15)12-2-4-14(18)5-3-12/h2-5,11,13H,6-10H2,1H3/p+1