4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate iodide

Systemtic Name: 4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate iodide Openeye Name: 4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate iodide CAS Name: 4-hexoxy-3,5-dimethoxybenzoic acid 4-(1-pyridin-1-iumyl)butyl ester iodide IUPAC Name: 4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxybenzoate iodide Traditional Name: 4-hexoxy-3,5-dimethoxy-benzoic acid 4-pyridin-1-ium-1-ylbutyl ester iodide Formula: C24H34INO5 MolecularWeight: 543.43493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC=C2)OC.[I-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC=C2)OC.[I-]

InChI

InChI=1S/C24H34NO5.HI/c1-4-5-6-11-16-29-23-21(27-2)18-20(19-22(23)28-3)24(26)30-17-12-10-15-25-13-8-7-9-14-25;/h7-9,13-14,18-19H,4-6,10-12,15-17H2,1-3H3;1H/q+1;/p-1