(4-methoxycarbonylphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H23N5O2S/c1-24(12-15-4-6-17(7-5-15)19(26)27-3)13-18-22-23-20(25(18)2)28-14-16-8-10-21-11-9-16/h4-11H,12-14H2,1-3H3/p+1