8-(2-aminocarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-(2-aminocarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(2-carbamoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-carbamoylphenoxy)octyl ester iodide IUPAC Name: 8-(2-carbamoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(2-carbamoylphenoxy)octyl ester iodide Formula: C22H29IN2O4 MolecularWeight: 512.38113

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2C(=O)N.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2C(=O)N.[I-]

InChI

InChI=1S/C22H28N2O4.HI/c1-24-14-10-11-18(17-24)22(26)28-16-9-5-3-2-4-8-15-27-20-13-7-6-12-19(20)21(23)25;/h6-7,10-14,17H,2-5,8-9,15-16H2,1H3,(H-,23,25);1H