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

Systemtic Name: 4-(4-chlorophenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chlorophenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chlorophenyl)-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chlorophenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chlorophenyl)-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazole-3-thiolate Formula: C15H19ClN4S MolecularWeight: 322.85616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4S/c1-11(19-9-3-2-4-10-19)14-17-18-15(21)20(14)13-7-5-12(16)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)/t11-/m0/s1