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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C15H20N4O2S2/c1-21-13-5-3-2-4-12(13)16-14-17-19(15(22)23-14)10-18-8-6-11(20)7-9-18/h2-5,11,20H,6-10H2,1H3,(H,16,17)/p+1