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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: piperonyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-13-2-5-15(6-3-13)19-16(11-21-22-19)10-20-9-14-4-7-17-18(8-14)24-12-23-17/h2-8,11,20H,9-10,12H2,1H3,(H,21,22)/p+1