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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[2-(1-imidazolyl)ethyl]-methylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methyl-ammonium Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O2/c1-26(11-12-27-10-9-24-16-27)14-19-15-28(20-5-3-2-4-6-20)25-23(19)18-7-8-21-22(13-18)30-17-29-21/h2-10,13,15-16H,11-12,14,17H2,1H3/p+1