ethyl 5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-1-(3-fluorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H24FN4O3+ MolecularWeight: 375.417263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H23FN4O3/c1-2-27-19(26)16-11-22-24(15-5-3-4-14(20)10-15)17(16)12-23-8-6-13(7-9-23)18(21)25/h3-5,10-11,13H,2,6-9,12H2,1H3,(H2,21,25)/p+1