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

Systemtic Name: 5-(5-methoxyindol-1-yl)pentyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 5-(5-methoxyindol-1-yl)pentyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 5-(5-methoxy-1-indolyl)pentyl ester iodide IUPAC Name: 5-(5-methoxyindol-1-yl)pentyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 5-(5-methoxyindol-1-yl)pentyl ester iodide Formula: C21H25IN2O3 MolecularWeight: 480.33927

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

InChI

InChI=1S/C21H25N2O3.HI/c1-22-11-6-7-18(16-22)21(24)26-14-5-3-4-12-23-13-10-17-15-19(25-2)8-9-20(17)23;/h6-11,13,15-16H,3-5,12,14H2,1-2H3;1H/q+1;/p-1