8-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]octyl ester IUPAC Name: 8-[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]octyl ester Formula: C34H40NO5+ MolecularWeight: 542.6851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)C4=C[N+](=CC=C4)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)C4=C[N+](=CC=C4)C

InChI

InChI=1S/C34H40NO5/c1-3-4-16-31-32(29-15-9-10-17-30(29)40-31)33(36)26-18-20-28(21-19-26)38-23-11-7-5-6-8-12-24-39-34(37)27-14-13-22-35(2)25-27/h9-10,13-15,17-22,25H,3-8,11-12,16,23-24H2,1-2H3/q+1