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

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: (3-ethoxy-4-methoxy-phenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: (3-ethoxy-4-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: (3-ethoxy-4-methoxyphenyl)methyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: (3-ethoxy-4-methoxy-benzyl)-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C23H31N4O3S+ MolecularWeight: 443.58224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](C)CC2=NN=C(N2C)SCCOC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](C)CC2=NN=C(N2C)SCCOC3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N4O3S/c1-5-29-21-15-18(11-12-20(21)28-4)16-26(2)17-22-24-25-23(27(22)3)31-14-13-30-19-9-7-6-8-10-19/h6-12,15H,5,13-14,16-17H2,1-4H3/p+1