4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C15H22N4S2 MolecularWeight: 322.49198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C15H22N4S2/c1-12-6-2-3-8-18(12)9-5-10-19-14(16-17-15(19)20)13-7-4-11-21-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3,(H,17,20)/t12-/m0/s1