5-cyclopropyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-cyclopropyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-cyclopropyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C(=N3)C4CC4)CC=C)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C(=N3)C4CC4)CC=C)OCC

InChI

InChI=1S/C22H30N4O2S/c1-4-10-25-21(16-7-8-16)23-26(22(25)29)15-24-11-9-17-12-19(27-5-2)20(28-6-3)13-18(17)14-24/h4,12-13,16H,1,5-11,14-15H2,2-3H3/p+1