3-[(E)-4-oxidanylidene-4-propanoyloxy-but-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[(E)-4-oxidanylidene-4-propanoyloxy-but-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[(E)-4-oxo-4-propanoyloxy-but-2-enoyl]oxy-4-(trimethylammonio)butanoate CAS Name: 3-[(E)-1,4-dioxo-4-(1-oxopropoxy)but-2-enoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-[(E)-4-oxo-4-propanoyloxybut-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[(E)-4-keto-4-propionyloxy-but-2-enoyl]oxy-4-(trimethylammonio)butyrate Formula: C14H21NO7 MolecularWeight: 315.31904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO7/c1-5-12(18)22-14(20)7-6-13(19)21-10(8-11(16)17)9-15(2,3)4/h6-7,10H,5,8-9H2,1-4H3/b7-6+