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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(1,3-benzoxazol-2-ylmethyl)-methyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(1,3-benzoxazol-2-ylmethyl)-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(1,3-benzoxazol-2-ylmethyl)-methylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(1,3-benzoxazol-2-ylmethyl)-methylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(1,3-benzoxazol-2-ylmethyl)-methyl-ammonium Formula: C26H23N4O3+ MolecularWeight: 439.48582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC6=CC=CC=C6O5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H22N4O3/c1-29(16-25-27-21-9-5-6-10-22(21)33-25)14-19-15-30(20-7-3-2-4-8-20)28-26(19)18-11-12-23-24(13-18)32-17-31-23/h2-13,15H,14,16-17H2,1H3/p+1