[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C23H25FN5O+ MolecularWeight: 406.475903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCCN3C=CN=C3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCCN3C=CN=C3)C4=CC=CC=C4F

InChI

InChI=1S/C23H24FN5O/c1-30-20-9-7-18(8-10-20)23-19(15-25-11-4-13-28-14-12-26-17-28)16-29(27-23)22-6-3-2-5-21(22)24/h2-3,5-10,12,14,16-17,25H,4,11,13,15H2,1H3/p+1