[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-phenylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-phenylpyrazol-4-yl)ethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-phenylpyrazol-4-yl)ethyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-phenylpyrazol-4-yl)ethyl]ammonium Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]CCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c1-2-4-19(5-3-1)27-14-16(11-25-27)8-9-23-12-18-13-24-26-22(18)17-6-7-20-21(10-17)29-15-28-20/h1-7,10-11,13-14,23H,8-9,12,15H2,(H,24,26)/p+1