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

Systemtic Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 2,2-dimethylpropanoate Openeye Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-isoquinolin-2-iumyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-2-ium-1-yl(phenyl)methyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [isoquinolin-2-ium-1-yl(phenyl)methyl] ester Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2/c1-21(2,3)20(23)24-19(16-10-5-4-6-11-16)18-17-12-8-7-9-15(17)13-14-22-18/h4-14,19H,1-3H3/p+1