(2,3-dimethoxyphenyl)methyl-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-o-veratryl-ammonium Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=C(C(=CC=C3)OC)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=C(C(=CC=C3)OC)OC)F

InChI

InChI=1S/C20H22FN3O3/c1-25-15-7-8-16(17(21)9-15)19-14(12-23-24-19)11-22-10-13-5-4-6-18(26-2)20(13)27-3/h4-9,12,22H,10-11H2,1-3H3,(H,23,24)/p+1