2-ethanoyl-3-heptoxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 2-ethanoyl-3-heptoxy-4-(trimethylazaniumyl)butanoate Openeye Name: 2-acetyl-3-heptoxy-4-(trimethylammonio)butanoate CAS Name: 2-acetyl-3-heptoxy-4-(trimethylammonio)butanoate IUPAC Name: 2-acetyl-3-heptoxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-acetyl-3-heptoxy-4-(trimethylammonio)butyrate Formula: C16H31NO4 MolecularWeight: 301.42164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C[N+](C)(C)C)C(C(=O)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCOC(C[N+](C)(C)C)C(C(=O)C)C(=O)[O-]

InChI

InChI=1S/C16H31NO4/c1-6-7-8-9-10-11-21-14(12-17(3,4)5)15(13(2)18)16(19)20/h14-15H,6-12H2,1-5H3