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

Systemtic Name: 1-[2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C22H26N4S/c1-18-10-6-7-13-20(18)21-23-24-22(26(21)19-11-4-2-5-12-19)27-17-16-25-14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3/p+1