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

Systemtic Name: 2-methyl-5-[(R)-(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 2-methyl-5-[(R)-p-tolyl(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 2-methyl-5-[(R)-(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 2-methyl-5-[(R)-(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 2-methyl-5-[(R)-p-tolyl(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=C(N3C(=NC(=N3)C)S2)O)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H22N4OS/c1-14-7-9-17(10-8-14)19(20-21(27)26-22(28-20)23-15(2)24-26)25-12-11-16-5-3-4-6-18(16)13-25/h3-10,19,27H,11-13H2,1-2H3/p+1/t19-/m1/s1