5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=S)NN3)C4=CC(=C(C=C4)OC)OC)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=S)NN3)C4=CC(=C(C=C4)OC)OC)OC)OC

InChI

InChI=1S/C22H22N4O4S/c1-12-8-14-10-18(29-4)19(30-5)11-15(14)20(26(12)21-23-22(31)25-24-21)13-6-7-16(27-2)17(9-13)28-3/h6-11H,1-5H3,(H-,23,24,25,31)/p+1