5-(4-methoxyphenyl)-4-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H25N4OS+ MolecularWeight: 393.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H24N4OS/c1-3-13-25-21(18-8-10-20(27-2)11-9-18)23-26(22(25)28)16-24-14-12-17-6-4-5-7-19(17)15-24/h3-11H,1,12-16H2,2H3/p+1