2-(2-propan-2-ylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-(2-propan-2-ylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 2-(2-isopropylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-(1-oxo-2-propan-2-ylpentoxy)ethyl ester IUPAC Name: 2-(2-propan-2-ylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-(2-isopropylpentanoyloxy)ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C)C(=O)OCCOC(=O)C1=C[N+](=CC=C1)C

Isomeric SMILES

CCCC(C(C)C)C(=O)OCCOC(=O)C1=C[N+](=CC=C1)C

InChI

InChI=1S/C17H26NO4/c1-5-7-15(13(2)3)17(20)22-11-10-21-16(19)14-8-6-9-18(4)12-14/h6,8-9,12-13,15H,5,7,10-11H2,1-4H3/q+1