4-methyl-5-(phenylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4S/c1-22-19(13-16-7-3-2-4-8-16)21-24(20(22)25)15-23-12-11-17-9-5-6-10-18(17)14-23/h2-10H,11-15H2,1H3/p+1