[3-carboxy-3-methyl-2,6-bis(oxidanyl)-4-oxidanylidene-heptyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-3-methyl-2,6-bis(oxidanyl)-4-oxidanylidene-heptyl]-trimethyl-azanium Openeye Name: (3-carboxy-2,6-dihydroxy-3-methyl-4-oxo-heptyl)-trimethyl-ammonium CAS Name: (3-carboxy-2,6-dihydroxy-3-methyl-4-oxoheptyl)-trimethylammonium IUPAC Name: (3-carboxy-2,6-dihydroxy-3-methyl-4-oxoheptyl)-trimethylazanium Traditional Name: (3-carboxy-2,6-dihydroxy-4-keto-3-methyl-heptyl)-trimethyl-ammonium Formula: C12H24NO5+ MolecularWeight: 262.32266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO5/c1-8(14)6-9(15)12(2,11(17)18)10(16)7-13(3,4)5/h8,10,14,16H,6-7H2,1-5H3/p+1