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

Systemtic Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 4-methoxybenzoate Openeye Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-isoquinolin-2-iumyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [isoquinolin-2-ium-1-yl(phenyl)methyl] ester Formula: C24H20NO3+ MolecularWeight: 370.4205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=[NH+]C=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=[NH+]C=CC4=CC=CC=C43

InChI

InChI=1S/C24H19NO3/c1-27-20-13-11-19(12-14-20)24(26)28-23(18-8-3-2-4-9-18)22-21-10-6-5-7-17(21)15-16-25-22/h2-16,23H,1H3/p+1