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

Systemtic Name: 3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C20H22N4O2S2/c25-16-5-4-12-23(13-16)14-24-20(27)28-19(22-24)21-15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,16,25H,4-5,12-14H2,(H,21,22)/p+1/t16-/m1/s1