2-[1-[3-(dimethylazaniumyl)propylamino]-1-oxidanylidene-propan-2-yl]-3-methyl-pentanoate

Systemtic Name: 2-[1-[3-(dimethylazaniumyl)propylamino]-1-oxidanylidene-propan-2-yl]-3-methyl-pentanoate Openeye Name: 2-[2-[3-(dimethylammonio)propylamino]-1-methyl-2-oxo-ethyl]-3-methyl-pentanoate CAS Name: 2-[1-[3-(dimethylammonio)propylamino]-1-oxopropan-2-yl]-3-methylpentanoate IUPAC Name: 2-[1-[3-(dimethylazaniumyl)propylamino]-1-oxopropan-2-yl]-3-methylpentanoate Traditional Name: 2-[2-[3-(dimethylammonio)propylamino]-2-keto-1-methyl-ethyl]-3-methyl-valerate Formula: C14H28N2O3 MolecularWeight: 272.38372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2O3/c1-6-10(2)12(14(18)19)11(3)13(17)15-8-7-9-16(4)5/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19)