[isoquinolin-2-ium-1-yl(phenyl)methyl] 4-fluoranylbenzoate

Systemtic Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 4-fluoranylbenzoate Openeye Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [1-isoquinolin-2-iumyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [isoquinolin-2-ium-1-yl(phenyl)methyl] ester Formula: C23H17FNO2+ MolecularWeight: 358.384983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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