8-(2-ethanoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(2-ethanoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(2-acetylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-acetylphenoxy)octyl ester IUPAC Name: 8-(2-acetylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(2-acetylphenoxy)octyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C23H30NO4/c1-19(25)21-13-7-8-14-22(21)27-16-9-5-3-4-6-10-17-28-23(26)20-12-11-15-24(2)18-20/h7-8,11-15,18H,3-6,9-10,16-17H2,1-2H3/q+1