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

Systemtic Name: 5-phenyl-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-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-phenyl-4-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-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-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H23N4S+ MolecularWeight: 363.49912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4S/c1-2-13-24-20(18-9-4-3-5-10-18)22-25(21(24)26)16-23-14-12-17-8-6-7-11-19(17)15-23/h2-11H,1,12-16H2/p+1