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

Systemtic Name: 4-prop-2-enyl-5-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-prop-2-enyl-5-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-prop-2-enyl-5-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22N5S+ MolecularWeight: 364.48718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CN=CC=C4

InChI

InChI=1S/C20H21N5S/c1-2-11-24-19(17-8-5-10-21-13-17)22-25(20(24)26)15-23-12-9-16-6-3-4-7-18(16)14-23/h2-8,10,13H,1,9,11-12,14-15H2/p+1