2-acetamidoethyl-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[1-(3-fluorophenyl)-3-(5-methyl-2-furanyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]ammonium Formula: C19H22FN4O2+ MolecularWeight: 357.401983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C[NH2+]CCNC(=O)C)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C[NH2+]CCNC(=O)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H21FN4O2/c1-13-6-7-18(26-13)19-15(11-21-8-9-22-14(2)25)12-24(23-19)17-5-3-4-16(20)10-17/h3-7,10,12,21H,8-9,11H2,1-2H3,(H,22,25)/p+1