(2-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium

Systemtic Name: (2-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: (2-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: (2-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-o-anisyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4O2S/c1-24(15-17-9-7-8-12-19(17)26-3)16-20-22-23-21(25(20)2)28-14-13-27-18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3/p+1