2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C)OCC

InChI

InChI=1S/C23H28N4O2S/c1-4-28-20-13-18-11-12-26(15-19(18)14-21(20)29-5-2)16-27-23(30)25(3)22(24-27)17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15-16H2,1-3H3/p+1