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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-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]-piperonyl-ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O3S/c1-24(13-16-8-9-18-19(12-16)28-15-27-18)14-20-22-23-21(25(20)2)29-11-10-26-17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3/p+1