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

Systemtic Name: 4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[3-[(2R)-2-methyl-1-piperidin-1-iumyl]propyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C14H26N4S MolecularWeight: 282.44804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCC[NH+]2CCCCC2C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CCC[NH+]2CCCC[C@H]2C)[S-]

InChI

InChI=1S/C14H26N4S/c1-3-7-13-15-16-14(19)18(13)11-6-10-17-9-5-4-8-12(17)2/h12H,3-11H2,1-2H3,(H,16,19)/t12-/m1/s1