5-[(2,4-dimethylphenyl)amino]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2,4-dimethylphenyl)amino]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2,4-dimethylanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(2,4-dimethylanilino)-3-(1-piperidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2,4-dimethylanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2,4-dimethylanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C16H23N4S2+ MolecularWeight: 335.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C16H22N4S2/c1-12-6-7-14(13(2)10-12)17-15-18-20(16(21)22-15)11-19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18)/p+1