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

Systemtic Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] propanoate Openeye Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] propanoate CAS Name: propanoic acid [1-isoquinolin-2-iumyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] propanoate Traditional Name: propionic acid [isoquinolin-2-ium-1-yl(phenyl)methyl] ester Formula: C19H18NO2+ MolecularWeight: 292.35172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2/c1-2-17(21)22-19(15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-20-18/h3-13,19H,2H2,1H3/p+1