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

Systemtic Name: 5-[(2-methoxyphenyl)amino]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-methoxyanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methoxyanilino)-3-(1-piperidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methoxyanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(o-anisidino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C15H21N4OS2+ MolecularWeight: 337.48344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H20N4OS2/c1-20-13-8-4-3-7-12(13)16-14-17-19(15(21)22-14)11-18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)/p+1