2-acetamidoethyl-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]ammonium Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH2+]CCNC(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH2+]CCNC(=O)C

InChI

InChI=1S/C22H25FN4O2/c1-15-6-4-5-7-20(15)27-14-18(13-24-10-11-25-16(2)28)22(26-27)17-8-9-21(29-3)19(23)12-17/h4-9,12,14,24H,10-11,13H2,1-3H3,(H,25,28)/p+1