5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazole-3-thiolate Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1[S-])CC[NH+]2CCCCC2

Isomeric SMILES

C=CCN1C(=NN=C1[S-])CC[NH+]2CCCCC2

InChI

InChI=1S/C12H20N4S/c1-2-7-16-11(13-14-12(16)17)6-10-15-8-4-3-5-9-15/h2H,1,3-10H2,(H,14,17)