2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-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=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N5O2S/c1-24(12-16-3-4-17-18(11-16)27-10-9-26-17)13-19-22-23-20(25(19)2)28-14-15-5-7-21-8-6-15/h3-8,11H,9-10,12-14H2,1-2H3/p+1