methyl 1-[(S)-(4-chlorophenyl)-(2-methyl-6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(S)-(4-chlorophenyl)-(2-methyl-6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(S)-(4-chlorophenyl)-(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-(4-chlorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(S)-(4-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-(4-chlorophenyl)-(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H22ClN4O3S+ MolecularWeight: 421.92098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Cl)[NH+]4CCC(CC4)C(=O)OC)O

Isomeric SMILES

CC1=NN2C(=C(SC2=N1)[C@H](C3=CC=C(C=C3)Cl)[NH+]4CCC(CC4)C(=O)OC)O

InChI

InChI=1S/C19H21ClN4O3S/c1-11-21-19-24(22-11)17(25)16(28-19)15(12-3-5-14(20)6-4-12)23-9-7-13(8-10-23)18(26)27-2/h3-6,13,15,25H,7-10H2,1-2H3/p+1/t15-/m0/s1