2-[5-(2-bromanylpropanoyl)-1-ethyl-3,3-dimethyl-2-oxidanylidene-indol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[5-(2-bromanylpropanoyl)-1-ethyl-3,3-dimethyl-2-oxidanylidene-indol-1-ium-1-yl]ethanoate Openeye Name: 2-[5-(2-bromopropanoyl)-1-ethyl-3,3-dimethyl-2-oxo-indolin-1-ium-1-yl]acetate CAS Name: 2-[5-(2-bromo-1-oxopropyl)-1-ethyl-3,3-dimethyl-2-oxo-1-indol-1-iumyl]acetate IUPAC Name: 2-[5-(2-bromopropanoyl)-1-ethyl-3,3-dimethyl-2-oxoindol-1-ium-1-yl]acetate Traditional Name: 2-[5-(2-bromopropanoyl)-1-ethyl-2-keto-3,3-dimethyl-indolin-1-ium-1-yl]acetate Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO4/c1-5-19(9-14(20)21)13-7-6-11(15(22)10(2)18)8-12(13)17(3,4)16(19)23/h6-8,10H,5,9H2,1-4H3