carboxy-[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethyl-azanium

Systemtic Name: carboxy-[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethyl-azanium Openeye Name: carboxy-[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]-dimethyl-ammonium CAS Name: carboxy-[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethylammonium IUPAC Name: carboxy-[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethylazanium Traditional Name: carboxy-[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]-dimethyl-ammonium Formula: C16H18FN4O2+ MolecularWeight: 317.338123

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(C2=C(CN(C2)NC3=CC=NC=C3)C=C1)F)C(=O)O

Isomeric SMILES

C[N+](C)(C1=C(C2=C(CN(C2)NC3=CC=NC=C3)C=C1)F)C(=O)O

InChI

InChI=1S/C16H17FN4O2/c1-21(2,16(22)23)14-4-3-11-9-20(10-13(11)15(14)17)19-12-5-7-18-8-6-12/h3-8H,9-10H2,1-2H3,(H-,18,19,22,23)/p+1