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

Systemtic Name: 5-[(3,4-dimethylphenyl)amino]-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3,4-dimethylanilino)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3,4-dimethylanilino)-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3,4-dimethylanilino)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3,4-dimethylanilino)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C16H23N4OS2+ MolecularWeight: 351.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C16H22N4OS2/c1-11-3-4-13(9-12(11)2)17-15-18-20(16(22)23-15)10-19-7-5-14(21)6-8-19/h3-4,9,14,21H,5-8,10H2,1-2H3,(H,17,18)/p+1