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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[(5-phenyl-3-isoxazolyl)methyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium Formula: C27H23N4O3+ MolecularWeight: 451.49652

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CC4=NOC(=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CC4=NOC(=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H22N4O3/c1-3-7-19(8-4-1)25-14-22(30-34-25)16-28-15-21-17-31(23-9-5-2-6-10-23)29-27(21)20-11-12-24-26(13-20)33-18-32-24/h1-14,17,28H,15-16,18H2/p+1