5-[(3,4-dimethylphenyl)amino]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3,4-dimethylphenyl)amino]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3,4-dimethylanilino)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3,4-dimethylanilino)-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3,4-dimethylanilino)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3,4-dimethylanilino)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C17H25N4S2+ MolecularWeight: 349.5372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C17H24N4S2/c1-12-6-8-20(9-7-12)11-21-17(22)23-16(19-21)18-15-5-4-13(2)14(3)10-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,19)/p+1