(3,3-dimethyl-2-oxidanidyl-4H-isoquinolin-2-ium-4-yl) ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanidyl-4H-isoquinolin-2-ium-4-yl) ethanoate Openeye Name: (3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate CAS Name: acetic acid (3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) ester IUPAC Name: (3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate Traditional Name: acetic acid (3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=CC=CC=C2C=[N+](C1(C)C)[O-]

Isomeric SMILES

CC(=O)OC1C2=CC=CC=C2C=[N+](C1(C)C)[O-]

InChI

InChI=1S/C13H15NO3/c1-9(15)17-12-11-7-5-4-6-10(11)8-14(16)13(12,2)3/h4-8,12H,1-3H3