2-(1-ethyl-3,3-dimethyl-2-oxidanylidene-indol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-ethyl-3,3-dimethyl-2-oxidanylidene-indol-1-ium-1-yl)ethanoate Openeye Name: 2-(1-ethyl-3,3-dimethyl-2-oxo-indolin-1-ium-1-yl)acetate CAS Name: 2-(1-ethyl-3,3-dimethyl-2-oxo-1-indol-1-iumyl)acetate IUPAC Name: 2-(1-ethyl-3,3-dimethyl-2-oxoindol-1-ium-1-yl)acetate Traditional Name: 2-(1-ethyl-2-keto-3,3-dimethyl-indolin-1-ium-1-yl)acetate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2C(C1=O)(C)C)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2C(C1=O)(C)C)CC(=O)[O-]

InChI

InChI=1S/C14H17NO3/c1-4-15(9-12(16)17)11-8-6-5-7-10(11)14(2,3)13(15)18/h5-8H,4,9H2,1-3H3