5-[3-(dimethylazaniumyl)propylamino]-2-ethyl-4-methyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[3-(dimethylazaniumyl)propylamino]-2-ethyl-4-methyl-5-oxidanylidene-pentanoate Openeye Name: 5-[3-(dimethylammonio)propylamino]-2-ethyl-4-methyl-5-oxo-pentanoate CAS Name: 5-[3-(dimethylammonio)propylamino]-2-ethyl-4-methyl-5-oxopentanoate IUPAC Name: 5-[3-(dimethylazaniumyl)propylamino]-2-ethyl-4-methyl-5-oxopentanoate Traditional Name: 5-[3-(dimethylammonio)propylamino]-2-ethyl-5-keto-4-methyl-valerate Formula: C13H26N2O3 MolecularWeight: 258.35714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)NCCC[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CCC(CC(C)C(=O)NCCC[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C13H26N2O3/c1-5-11(13(17)18)9-10(2)12(16)14-7-6-8-15(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,17,18)