[3-carboxy-1,6-bis(oxidanyl)-1-oxidanylidene-3-(2-oxidanylpropyl)heptan-2-yl]-trimethyl-azanium

Systemtic Name: [3-carboxy-1,6-bis(oxidanyl)-1-oxidanylidene-3-(2-oxidanylpropyl)heptan-2-yl]-trimethyl-azanium Openeye Name: [1,2-dicarboxy-5-hydroxy-2-(2-hydroxypropyl)hexyl]-trimethyl-ammonium CAS Name: [3-carboxy-1,6-dihydroxy-3-(2-hydroxypropyl)-1-oxoheptan-2-yl]-trimethylammonium IUPAC Name: [3-carboxy-1,6-dihydroxy-3-(2-hydroxypropyl)-1-oxoheptan-2-yl]-trimethylazanium Traditional Name: [1,2-dicarboxy-5-hydroxy-2-(2-hydroxypropyl)hexyl]-trimethyl-ammonium Formula: C14H28NO6+ MolecularWeight: 306.37522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27NO6/c1-9(16)6-7-14(13(20)21,8-10(2)17)11(12(18)19)15(3,4)5/h9-11,16-17H,6-8H2,1-5H3,(H-,18,19,20,21)/p+1