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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CC[NH2+]CC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CC[NH2+]CC3

InChI

InChI=1S/C15H21N5S/c1-2-20-14(13-5-8-16-9-6-13)18-19-15(20)21-11-12-4-3-7-17-10-12/h3-4,7,10,13,16H,2,5-6,8-9,11H2,1H3/p+1