3-(3,4-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dimethoxyphenyl)-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C17H25N4O3S+ MolecularWeight: 365.4704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2CCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2CCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C17H24N4O3S/c1-22-14-5-4-13(12-15(14)23-2)16-18-19-17(25)21(16)7-3-6-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,19,25)/p+1