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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-indazol-1-ylpropyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-indazol-1-ylpropyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[3-(1-indazolyl)propyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(3-indazol-1-ylpropyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-indazol-1-ylpropyl)ammonium Formula: C27H26N5O2+ MolecularWeight: 452.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCCN4C5=CC=CC=C5C=N4)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCCN4C5=CC=CC=C5C=N4)C6=CC=CC=C6

InChI

InChI=1S/C27H25N5O2/c1-2-8-23(9-3-1)32-18-22(27(30-32)20-11-12-25-26(15-20)34-19-33-25)16-28-13-6-14-31-24-10-5-4-7-21(24)17-29-31/h1-5,7-12,15,17-18,28H,6,13-14,16,19H2/p+1