4-(5-phenylmethoxyindol-1-yl)butyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 4-(5-phenylmethoxyindol-1-yl)butyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 4-(5-benzyloxyindol-1-yl)butyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 4-(5-phenylmethoxy-1-indolyl)butyl ester iodide IUPAC Name: 4-(5-phenylmethoxyindol-1-yl)butyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 4-(5-benzoxyindol-1-yl)butyl ester iodide Formula: C26H27IN2O3 MolecularWeight: 542.40865

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C26H27N2O3.HI/c1-27-14-7-10-23(19-27)26(29)30-17-6-5-15-28-16-13-22-18-24(11-12-25(22)28)31-20-21-8-3-2-4-9-21;/h2-4,7-14,16,18-19H,5-6,15,17,20H2,1H3;1H/q+1;/p-1