trimethyl-[3-(octadecanoylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: trimethyl-[3-(octadecanoylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [1-carboxy-2-(octadecanoylamino)butyl]-trimethyl-ammonium CAS Name: [1-hydroxy-1-oxo-3-(1-oxooctadecylamino)pentan-2-yl]-trimethylammonium IUPAC Name: [1-hydroxy-3-(octadecanoylamino)-1-oxopentan-2-yl]-trimethylazanium Traditional Name: (1-carboxy-2-stearamido-butyl)-trimethyl-ammonium Formula: C26H53N2O3+ MolecularWeight: 441.71062

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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)/p+1