3-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C15H22N5S+ MolecularWeight: 304.43368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C15H21N5S/c1-19-14(13-6-5-7-16-12-13)17-18-15(19)21-11-10-20-8-3-2-4-9-20/h5-7,12H,2-4,8-11H2,1H3/p+1