[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[3-(methylthio)benzyl]ammonium Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O2S/c1-25-16-4-2-3-13(7-16)9-20-10-15-11-21-22-19(15)14-5-6-17-18(8-14)24-12-23-17/h2-8,11,20H,9-10,12H2,1H3,(H,21,22)/p+1