(3-carboxy-2-heptoxy-5-methyl-4-oxidanylidene-hexyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-2-heptoxy-5-methyl-4-oxidanylidene-hexyl)-trimethyl-azanium Openeye Name: (3-carboxy-2-heptoxy-5-methyl-4-oxo-hexyl)-trimethyl-ammonium CAS Name: (3-carboxy-2-heptoxy-5-methyl-4-oxohexyl)-trimethylammonium IUPAC Name: (3-carboxy-2-heptoxy-5-methyl-4-oxohexyl)-trimethylazanium Traditional Name: (3-carboxy-2-heptoxy-4-keto-5-methyl-hexyl)-trimethyl-ammonium Formula: C18H36NO4+ MolecularWeight: 330.48274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO4/c1-7-8-9-10-11-12-23-15(13-19(4,5)6)16(18(21)22)17(20)14(2)3/h14-16H,7-13H2,1-6H3/p+1