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

Systemtic Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-methyl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-methyl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C18H24N4O2S/c1-12-19-21(18(25)22(12)15-4-5-15)11-20-7-6-13-8-16(23-2)17(24-3)9-14(13)10-20/h8-9,15H,4-7,10-11H2,1-3H3/p+1