2-methyl-5-[(S)-phenyl(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-[(S)-phenyl(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-[(S)-phenyl(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-[(S)-phenyl(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 2-methyl-5-[(S)-phenyl(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-[(S)-phenyl(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(SC2=N1)C(C3=CC=CC=C3)[NH+]4CCC5=CC=CC=C5C4)O

Isomeric SMILES

CC1=NN2C(=C(SC2=N1)[C@H](C3=CC=CC=C3)[NH+]4CCC5=CC=CC=C5C4)O

InChI

InChI=1S/C21H20N4OS/c1-14-22-21-25(23-14)20(26)19(27-21)18(16-8-3-2-4-9-16)24-12-11-15-7-5-6-10-17(15)13-24/h2-10,18,26H,11-13H2,1H3/p+1/t18-/m0/s1