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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-piperonyl-ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H21N3O2/c1-13-3-5-16(7-14(13)2)20-17(11-22-23-20)10-21-9-15-4-6-18-19(8-15)25-12-24-18/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,23)/p+1