carboxy-[6-fluoranyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-azanium

Systemtic Name: carboxy-[6-fluoranyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-azanium Openeye Name: carboxy-[6-fluoro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-ammonium CAS Name: carboxy-[6-fluoro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethylammonium IUPAC Name: carboxy-[6-fluoro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethylazanium Traditional Name: carboxy-[6-fluoro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-ammonium Formula: C17H20FN4O2+ MolecularWeight: 331.364703

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(C=C2CCN(CC2=C1)NC3=CC=NC=C3)F)C(=O)O

Isomeric SMILES

C[N+](C)(C1=C(C=C2CCN(CC2=C1)NC3=CC=NC=C3)F)C(=O)O

InChI

InChI=1S/C17H19FN4O2/c1-22(2,17(23)24)16-10-13-11-21(8-5-12(13)9-15(16)18)20-14-3-6-19-7-4-14/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H-,19,20,23,24)/p+1