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

Systemtic Name: [[6-fluoranyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-azaniumyl]methanoate Openeye Name: [[6-fluoro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-ammonio]formate CAS Name: [[6-fluoro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethylammonio]formate IUPAC Name: [[6-fluoro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethylazaniumyl]formate Traditional Name: [[6-fluoro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-7-yl]-dimethyl-ammonio]formate Formula: C17H19FN4O2 MolecularWeight: 330.356763

Click to see the large picture

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)