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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)ammonium Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCCN4C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCCN4C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O2/c1-2-6-20(7-3-1)28-16-19(15-24-10-4-12-27-13-5-11-25-27)23(26-28)18-8-9-21-22(14-18)30-17-29-21/h1-3,5-9,11,13-14,16,24H,4,10,12,15,17H2/p+1