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

Systemtic Name: methyl 1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H22N2O3S/c1-22-16-5-3-13(4-6-16)17-19-15(12-24-17)11-20-9-7-14(8-10-20)18(21)23-2/h3-6,12,14H,7-11H2,1-2H3/p+1