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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-piperonyl-ammonium Formula: C25H23ClN3O3+ MolecularWeight: 448.92142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22ClN3O3/c1-30-20-9-7-19(8-10-20)29-15-18(25(28-29)21-4-2-3-5-22(21)26)14-27-13-17-6-11-23-24(12-17)32-16-31-23/h2-12,15,27H,13-14,16H2,1H3/p+1