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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]methyl-piperonyl-ammonium Formula: C25H24N3O2+ MolecularWeight: 398.47696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2/c1-18-7-5-6-10-22(18)25-20(16-28(27-25)21-8-3-2-4-9-21)15-26-14-19-11-12-23-24(13-19)30-17-29-23/h2-13,16,26H,14-15,17H2,1H3/p+1