2-[2-bromanyl-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: 2-[2-bromanyl-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxidanylidene-hexanoate Openeye Name: 2-[2-bromo-2-(trimethylammonio)ethyl]-5-methyl-3-oxo-hexanoate CAS Name: 2-[2-bromo-2-(trimethylammonio)ethyl]-5-methyl-3-oxohexanoate IUPAC Name: 2-[2-bromo-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxohexanoate Traditional Name: 2-[2-bromo-2-(trimethylammonio)ethyl]-3-keto-5-methyl-hexanoate Formula: C12H22BrNO3 MolecularWeight: 308.21198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22BrNO3/c1-8(2)6-10(15)9(12(16)17)7-11(13)14(3,4)5/h8-9,11H,6-7H2,1-5H3