1-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=CC=C3OC

InChI

InChI=1S/C17H24N4OS/c1-20-16(14-8-4-5-9-15(14)22-2)18-19-17(20)23-13-12-21-10-6-3-7-11-21/h4-5,8-9H,3,6-7,10-13H2,1-2H3/p+1