[isoquinolin-2-ium-1-yl-(4-methylphenyl)methyl] benzoate

Systemtic Name: [isoquinolin-2-ium-1-yl-(4-methylphenyl)methyl] benzoate Openeye Name: [isoquinolin-2-ium-1-yl(p-tolyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolin-2-iumyl-(4-methylphenyl)methyl] ester IUPAC Name: [isoquinolin-2-ium-1-yl-(4-methylphenyl)methyl] benzoate Traditional Name: benzoic acid [isoquinolin-2-ium-1-yl(p-tolyl)methyl] ester Formula: C24H20NO2+ MolecularWeight: 354.4211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=[NH+]C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=[NH+]C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H19NO2/c1-17-11-13-19(14-12-17)23(27-24(26)20-8-3-2-4-9-20)22-21-10-6-5-7-18(21)15-16-25-22/h2-16,23H,1H3/p+1