ethyl 1-(3-fluorophenyl)-5-[[1H-imidazol-3-ium-2-ylmethyl(methyl)amino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-fluorophenyl)-5-[[1H-imidazol-3-ium-2-ylmethyl(methyl)amino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-fluorophenyl)-5-[[1H-imidazol-3-ium-2-ylmethyl(methyl)amino]methyl]pyrazole-4-carboxylate CAS Name: 1-(3-fluorophenyl)-5-[[1H-imidazol-3-ium-2-ylmethyl(methyl)amino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluorophenyl)-5-[[1H-imidazol-3-ium-2-ylmethyl(methyl)amino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-[[1H-imidazol-3-ium-2-ylmethyl(methyl)amino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H21FN5O2+ MolecularWeight: 358.390043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CN(C)CC3=[NH+]C=CN3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CN(C)CC3=[NH+]C=CN3

InChI

InChI=1S/C18H20FN5O2/c1-3-26-18(25)15-10-22-24(14-6-4-5-13(19)9-14)16(15)11-23(2)12-17-20-7-8-21-17/h4-10H,3,11-12H2,1-2H3,(H,20,21)/p+1