3-hexadecoxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-hexadecoxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-hexadecoxy-4-(trimethylammonio)butanoate CAS Name: 3-hexadecoxy-4-(trimethylammonio)butanoate IUPAC Name: 3-hexadecoxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-cetyloxy-4-(trimethylammonio)butyrate Formula: C23H47NO3 MolecularWeight: 385.62418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-22(20-23(25)26)21-24(2,3)4/h22H,5-21H2,1-4H3