4-(4-methoxyphenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-methoxyphenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methoxyphenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-methoxyphenyl)-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methoxyphenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-methoxyphenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)OC)[S-])[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=C(C=C2)OC)[S-])[NH+]3CCCCC3

InChI

InChI=1S/C16H22N4OS/c1-12(19-10-4-3-5-11-19)15-17-18-16(22)20(15)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,22)/t12-/m0/s1