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

Systemtic Name: 5-cyclopropyl-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-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:

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C21H22N4S/c26-21-24(15-23-13-12-16-6-4-5-7-18(16)14-23)22-20(17-10-11-17)25(21)19-8-2-1-3-9-19/h1-9,17H,10-15H2/p+1