[4,5-dicarboxy-2-oxidanyl-4-(2-oxidanylpropyl)heptadecan-5-yl]-trimethyl-azanium

Systemtic Name: [4,5-dicarboxy-2-oxidanyl-4-(2-oxidanylpropyl)heptadecan-5-yl]-trimethyl-azanium Openeye Name: [1-carboxy-1-[1-carboxy-3-hydroxy-1-(2-hydroxypropyl)butyl]tridecyl]-trimethyl-ammonium CAS Name: [4,5-dicarboxy-2-hydroxy-4-(2-hydroxypropyl)heptadecan-5-yl]-trimethylammonium IUPAC Name: [4,5-dicarboxy-2-hydroxy-4-(2-hydroxypropyl)heptadecan-5-yl]-trimethylazanium Traditional Name: [1-carboxy-1-[1-carboxy-3-hydroxy-1-(2-hydroxypropyl)butyl]tridecyl]-trimethyl-ammonium Formula: C25H50NO6+ MolecularWeight: 460.6676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)O)(C(CC(C)O)(CC(C)O)C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)O)(C(CC(C)O)(CC(C)O)C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C25H49NO6/c1-7-8-9-10-11-12-13-14-15-16-17-25(23(31)32,26(4,5)6)24(22(29)30,18-20(2)27)19-21(3)28/h20-21,27-28H,7-19H2,1-6H3,(H-,29,30,31,32)/p+1