2-ethanoyl-3-[4-oxidanidyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 2-ethanoyl-3-[4-oxidanidyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 2-acetyl-3-[3-oxido-3-oxo-1-[(trimethylammonio)methyl]propoxy]-4-(trimethylammonio)butanoate CAS Name: 2-acetyl-3-[4-oxido-4-oxo-1-(trimethylammonio)butan-2-yl]oxy-4-(trimethylammonio)butanoate IUPAC Name: 2-acetyl-3-[4-oxido-4-oxo-1-(trimethylazaniumyl)butan-2-yl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-acetyl-3-[3-keto-3-oxido-1-[(trimethylammonio)methyl]propoxy]-4-(trimethylammonio)butyrate Formula: C16H30N2O6 MolecularWeight: 346.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N2O6/c1-11(19)15(16(22)23)13(10-18(5,6)7)24-12(8-14(20)21)9-17(2,3)4/h12-13,15H,8-10H2,1-7H3