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

Systemtic Name: (4-hydroxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: (4-hydroxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: (4-hydroxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: (4-hydroxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: (4-hydroxybenzyl)-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=C(C=C3)O

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=C(C=C3)O

InChI

InChI=1S/C20H24N4O2S/c1-23(14-16-8-10-17(25)11-9-16)15-19-21-22-20(24(19)2)27-13-12-26-18-6-4-3-5-7-18/h3-11,25H,12-15H2,1-2H3/p+1