[isoquinolin-2-ium-1-yl(phenyl)methyl] 2-fluoranylbenzoate

Systemtic Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 2-fluoranylbenzoate Openeye Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [1-isoquinolin-2-iumyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [isoquinolin-2-ium-1-yl(phenyl)methyl] ester Formula: C23H17FNO2+ MolecularWeight: 358.384983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=[NH+]C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=[NH+]C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H16FNO2/c24-20-13-7-6-12-19(20)23(26)27-22(17-9-2-1-3-10-17)21-18-11-5-4-8-16(18)14-15-25-21/h1-15,22H/p+1