6-(5-methoxyindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 6-(5-methoxyindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 6-(5-methoxyindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 6-(5-methoxy-1-indolyl)hexyl ester iodide IUPAC Name: 6-(5-methoxyindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 6-(5-methoxyindol-1-yl)hexyl ester iodide Formula: C22H27IN2O3 MolecularWeight: 494.36585

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

InChI

InChI=1S/C22H27N2O3.HI/c1-23-12-7-8-19(17-23)22(25)27-15-6-4-3-5-13-24-14-11-18-16-20(26-2)9-10-21(18)24;/h7-12,14,16-17H,3-6,13,15H2,1-2H3;1H/q+1;/p-1