5-[6-fluoranylundecan-3-yl(dimethyl)azaniumyl]pentanoate

Systemtic Name: 5-[6-fluoranylundecan-3-yl(dimethyl)azaniumyl]pentanoate Openeye Name: 5-[(1-ethyl-4-fluoro-nonyl)-dimethyl-ammonio]pentanoate CAS Name: 5-[6-fluoroundecan-3-yl(dimethyl)ammonio]pentanoate IUPAC Name: 5-[6-fluoroundecan-3-yl(dimethyl)azaniumyl]pentanoate Traditional Name: 5-[(1-ethyl-4-fluoro-nonyl)-dimethyl-ammonio]valerate Formula: C18H36FNO2 MolecularWeight: 317.482343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(CC)[N+](C)(C)CCCCC(=O)[O-])F

Isomeric SMILES

CCCCCC(CCC(CC)[N+](C)(C)CCCCC(=O)[O-])F

InChI

InChI=1S/C18H36FNO2/c1-5-7-8-11-16(19)13-14-17(6-2)20(3,4)15-10-9-12-18(21)22/h16-17H,5-15H2,1-4H3