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

Systemtic Name: 5-[(3-methylphenyl)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-(3-methylanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(3-methylanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(3-methylanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(m-toluidino)-1,3,4-thiadiazole-2-thione Formula: C15H21N4OS2+ MolecularWeight: 337.48344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C15H20N4OS2/c1-11-4-2-5-12(8-11)16-14-17-19(15(21)22-14)10-18-7-3-6-13(20)9-18/h2,4-5,8,13,20H,3,6-7,9-10H2,1H3,(H,16,17)/p+1/t13-/m1/s1