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

Systemtic Name: methyl 1-[(R)-(2-methyl-6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(R)-(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)-(p-tolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)-(p-tolyl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H25N4O3S+ MolecularWeight: 401.5025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=C(N3C(=NC(=N3)C)S2)O)[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C20H24N4O3S/c1-12-4-6-14(7-5-12)16(23-10-8-15(9-11-23)19(26)27-3)17-18(25)24-20(28-17)21-13(2)22-24/h4-7,15-16,25H,8-11H2,1-3H3/p+1/t16-/m1/s1