methyl 1-[(S)-(4-fluorophenyl)-(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-fluorophenyl)-(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-fluorophenyl)-(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-(4-fluorophenyl)-(6-hydroxy-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(S)-(4-fluorophenyl)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-(4-fluorophenyl)-(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H20FN4O3S+ MolecularWeight: 391.439803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=C(N4C(=NC=N4)S3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@@H](C2=CC=C(C=C2)F)C3=C(N4C(=NC=N4)S3)O

InChI

InChI=1S/C18H19FN4O3S/c1-26-17(25)12-6-8-22(9-7-12)14(11-2-4-13(19)5-3-11)15-16(24)23-18(27-15)20-10-21-23/h2-5,10,12,14,24H,6-9H2,1H3/p+1/t14-/m0/s1