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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyridylmethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyridylmethyl)ammonium Formula: C23H21N4O2+ MolecularWeight: 385.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CC4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CC4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O2/c1-2-7-20(8-3-1)27-15-18(13-24-14-19-6-4-5-11-25-19)23(26-27)17-9-10-21-22(12-17)29-16-28-21/h1-12,15,24H,13-14,16H2/p+1