ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxidanylidene-2-(pyridin-1-ium-3-ylmethylamino)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxidanylidene-2-(pyridin-1-ium-3-ylmethylamino)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(pyridin-1-ium-3-ylmethylamino)ethyl]pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(3-pyridin-1-iumylmethylamino)ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(pyridin-1-ium-3-ylmethylamino)ethyl]pyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-[2-keto-2-(pyridin-1-ium-3-ylmethylamino)ethyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23FN3O3+ MolecularWeight: 396.434723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NCC3=C[NH+]=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NCC3=C[NH+]=CC=C3)C

InChI

InChI=1S/C22H22FN3O3/c1-3-29-22(28)19-11-20(17-6-8-18(23)9-7-17)26(15(19)2)14-21(27)25-13-16-5-4-10-24-12-16/h4-12H,3,13-14H2,1-2H3,(H,25,27)/p+1