[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(4-fluorophenyl)azanium

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(4-fluorophenyl)azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-(4-fluorophenyl)ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(4-fluorophenyl)ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(4-fluorophenyl)azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-(4-fluorophenyl)ammonium Formula: C17H18FN2O+ MolecularWeight: 285.336023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH2+]C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH2+]C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN2O/c18-15-5-7-16(8-6-15)19-11-17(21)20-10-9-13-3-1-2-4-14(13)12-20/h1-8,19H,9-12H2/p+1