3-(octadecanoylamino)-2-(trimethylazaniumyl)pentanoate

Systemtic Name: 3-(octadecanoylamino)-2-(trimethylazaniumyl)pentanoate Openeye Name: 3-(octadecanoylamino)-2-(trimethylammonio)pentanoate CAS Name: 3-(1-oxooctadecylamino)-2-(trimethylammonio)pentanoate IUPAC Name: 3-(octadecanoylamino)-2-(trimethylazaniumyl)pentanoate Traditional Name: 3-stearamido-2-(trimethylammonio)valerate Formula: C26H52N2O3 MolecularWeight: 440.70268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C(=O)[O-])[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C(=O)[O-])[N+](C)(C)C

InChI

InChI=1S/C26H52N2O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(29)27-23(7-2)25(26(30)31)28(3,4)5/h23,25H,6-22H2,1-5H3,(H-,27,29,30,31)