(3-carboxy-6-methyl-2-oxidanyl-4-oxidanylidene-hept-5-enyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-6-methyl-2-oxidanyl-4-oxidanylidene-hept-5-enyl)-trimethyl-azanium Openeye Name: (3-carboxy-2-hydroxy-6-methyl-4-oxo-hept-5-enyl)-trimethyl-ammonium CAS Name: (3-carboxy-2-hydroxy-6-methyl-4-oxohept-5-enyl)-trimethylammonium IUPAC Name: (3-carboxy-2-hydroxy-6-methyl-4-oxohept-5-enyl)-trimethylazanium Traditional Name: (3-carboxy-2-hydroxy-4-keto-6-methyl-hept-5-enyl)-trimethyl-ammonium Formula: C12H22NO4+ MolecularWeight: 244.30738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4/c1-8(2)6-9(14)11(12(16)17)10(15)7-13(3,4)5/h6,10-11,15H,7H2,1-5H3/p+1