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

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(p-anisidino)-1,3,4-thiadiazole-2-thione Formula: C17H25N4OS2+ MolecularWeight: 365.5366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H24N4OS2/c1-3-14-6-4-5-11-20(14)12-21-17(23)24-16(19-21)18-13-7-9-15(22-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1