[[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethyl-azaniumyl]methanoate hydrochloride

Systemtic Name: [[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethyl-azaniumyl]methanoate hydrochloride Openeye Name: [[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]-dimethyl-ammonio]formate hydrochloride CAS Name: [[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethylammonio]formate hydrochloride IUPAC Name: [[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethylazaniumyl]formate hydrochloride Traditional Name: [[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]-dimethyl-ammonio]formate hydrochloride Formula: C16H18ClFN4O2 MolecularWeight: 352.791123

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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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O2.ClH/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);1H