2-methylheptanoyloxymethyl 1-methylpyridin-1-ium-2-carboxylate

Systemtic Name: 2-methylheptanoyloxymethyl 1-methylpyridin-1-ium-2-carboxylate Openeye Name: 2-methylheptanoyloxymethyl 1-methylpyridin-1-ium-2-carboxylate CAS Name: 1-methyl-2-pyridin-1-iumcarboxylic acid (2-methyl-1-oxoheptoxy)methyl ester IUPAC Name: 2-methylheptanoyloxymethyl 1-methylpyridin-1-ium-2-carboxylate Traditional Name: 1-methylpyridin-1-ium-2-carboxylic acid 2-methylheptanoyloxymethyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)OCOC(=O)C1=CC=CC=[N+]1C

Isomeric SMILES

CCCCCC(C)C(=O)OCOC(=O)C1=CC=CC=[N+]1C

InChI

InChI=1S/C16H24NO4/c1-4-5-6-9-13(2)15(18)20-12-21-16(19)14-10-7-8-11-17(14)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3/q+1