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

Systemtic Name: 1-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H26N4OS/c1-3-22-17(15-9-5-6-10-16(15)23-2)19-20-18(22)24-14-13-21-11-7-4-8-12-21/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3/p+1