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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=[NH+]C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=[NH+]C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

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