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

Systemtic Name: 3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-isopropylanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-propan-2-ylanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-propan-2-ylanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-cumidino-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C17H25N4OS2+ MolecularWeight: 365.5366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS2/c1-12(2)13-5-7-14(8-6-13)18-16-19-21(17(23)24-16)11-20-9-3-4-15(22)10-20/h5-8,12,15,22H,3-4,9-11H2,1-2H3,(H,18,19)/p+1/t15-/m1/s1