[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O2S/c1-22-6-4-19-17(22)25-7-5-18-9-13-10-20-21-16(13)12-2-3-14-15(8-12)24-11-23-14/h2-4,6,8,10,18H,5,7,9,11H2,1H3,(H,20,21)/p+1