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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

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