1,3-benzodioxol-5-ylmethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl]azanium Traditional Name: [4-carbethoxy-2-(3-chlorophenyl)pyrazol-3-yl]methyl-piperonyl-ammonium Formula: C21H21ClN3O4+ MolecularWeight: 414.86214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O4/c1-2-27-21(26)17-11-24-25(16-5-3-4-15(22)9-16)18(17)12-23-10-14-6-7-19-20(8-14)29-13-28-19/h3-9,11,23H,2,10,12-13H2,1H3/p+1