2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-3,4-dihydro-2H-naphthalen-1-one bromide

Systemtic Name: 2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-3,4-dihydro-2H-naphthalen-1-one bromide Openeye Name: 2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]tetralin-1-one bromide CAS Name: 2-[1-[(4-fluorophenyl)methyl]-4-pyridin-1-iumyl]-3,4-dihydro-2H-naphthalen-1-one bromide IUPAC Name: 2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-3,4-dihydro-2H-naphthalen-1-one bromide Traditional Name: 2-[1-(4-fluorobenzyl)pyridin-1-ium-4-yl]tetralin-1-one bromide Formula: C22H19BrFNO MolecularWeight: 412.294763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)C1C3=CC=[N+](C=C3)CC4=CC=C(C=C4)F.[Br-]

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)C1C3=CC=[N+](C=C3)CC4=CC=C(C=C4)F.[Br-]

InChI

InChI=1S/C22H19FNO.BrH/c23-19-8-5-16(6-9-19)15-24-13-11-18(12-14-24)21-10-7-17-3-1-2-4-20(17)22(21)25;/h1-6,8-9,11-14,21H,7,10,15H2;1H/q+1;/p-1