8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(5-methoxy-1-indolyl)octyl ester iodide IUPAC Name: 8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(5-methoxyindol-1-yl)octyl ester iodide Formula: C24H31IN2O3 MolecularWeight: 522.41901

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

InChI

InChI=1S/C24H31N2O3.HI/c1-25-14-9-10-21(19-25)24(27)29-17-8-6-4-3-5-7-15-26-16-13-20-18-22(28-2)11-12-23(20)26;/h9-14,16,18-19H,3-8,15,17H2,1-2H3;1H/q+1;/p-1