5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Systemtic Name: 5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC(=C(C=C2)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C2=CC(=C(C=C2)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O

InChI

InChI=1S/C20H26N4O3S/c1-12-6-5-9-23(11-12)17(14-7-8-15(26-3)16(10-14)27-4)18-19(25)24-20(28-18)21-13(2)22-24/h7-8,10,12,17,25H,5-6,9,11H2,1-4H3/p+1/t12-,17-/m0/s1