[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: benzyl-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C[NH2+]CC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C[NH2+]CC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O2/c1-29-23-14-13-20(15-24(23)30-2)25-21(17-26-16-19-9-5-3-6-10-19)18-28(27-25)22-11-7-4-8-12-22/h3-15,18,26H,16-17H2,1-2H3/p+1