2-acetamidoethyl-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ammonium Formula: C20H21ClFN4O+ MolecularWeight: 387.858343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20ClFN4O/c1-14(27)24-11-10-23-12-15-13-26(17-8-6-16(22)7-9-17)25-20(15)18-4-2-3-5-19(18)21/h2-9,13,23H,10-12H2,1H3,(H,24,27)/p+1