2-(2-methylhenicosan-2-ylazaniumyl)hexanoate

Systemtic Name: 2-(2-methylhenicosan-2-ylazaniumyl)hexanoate Openeye Name: 2-(1,1-dimethylicosylammonio)hexanoate CAS Name: 2-(2-methylheneicosan-2-ylammonio)hexanoate IUPAC Name: 2-(2-methylhenicosan-2-ylazaniumyl)hexanoate Traditional Name: 2-(1,1-dimethyleicosylammonio)hexanoate Formula: C28H57NO2 MolecularWeight: 439.75768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C)(C)[NH2+]C(CCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C)(C)[NH2+]C(CCCC)C(=O)[O-]

InChI

InChI=1S/C28H57NO2/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(3,4)29-26(27(30)31)24-8-6-2/h26,29H,5-25H2,1-4H3,(H,30,31)