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

Systemtic Name: 5-[(4-methoxyphenyl)amino]-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(p-anisidino)-1,3,4-thiadiazole-2-thione Formula: C15H21N4O2S2+ MolecularWeight: 353.48284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC(C3)O

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C15H20N4O2S2/c1-21-13-6-4-11(5-7-13)16-14-17-19(15(22)23-14)10-18-8-2-3-12(20)9-18/h4-7,12,20H,2-3,8-10H2,1H3,(H,16,17)/p+1/t12-/m1/s1