(3S)-3-hexanoyloxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3S)-3-hexanoyloxy-4-(trimethylazaniumyl)butanoate Openeye Name: (3S)-3-hexanoyloxy-4-(trimethylammonio)butanoate CAS Name: (3S)-3-(1-oxohexoxy)-4-(trimethylammonio)butanoate IUPAC Name: (3S)-3-hexanoyloxy-4-(trimethylazaniumyl)butanoate Traditional Name: (3S)-3-caproyloxy-4-(trimethylammonio)butyrate Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1