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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyridin-3-ylethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(3-pyridyl)ethyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[2-(3-pyridinyl)ethyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(2-pyridin-3-ylethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(3-pyridyl)ethyl]ammonium Formula: C24H23N4O2+ MolecularWeight: 399.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2/c1-2-6-21(7-3-1)28-16-20(15-26-12-10-18-5-4-11-25-14-18)24(27-28)19-8-9-22-23(13-19)30-17-29-22/h1-9,11,13-14,16,26H,10,12,15,17H2/p+1