2-(1-methylpiperidin-1-ium-1-yl)ethyl 2,4-bis(oxidanyl)benzoate iodide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2,4-bis(oxidanyl)benzoate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2,4-dihydroxybenzoate iodide CAS Name: 2,4-dihydroxybenzoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2,4-dihydroxybenzoate iodide Traditional Name: 2,4-dihydroxybenzoic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C15H22INO4 MolecularWeight: 407.24395

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C2=C(C=C(C=C2)O)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)C2=C(C=C(C=C2)O)O.[I-]

InChI

InChI=1S/C15H21NO4.HI/c1-16(7-3-2-4-8-16)9-10-20-15(19)13-6-5-12(17)11-14(13)18;/h5-6,11H,2-4,7-10H2,1H3,(H-,17,18,19);1H