methyl 1-[6-(1-methylpyridin-1-ium-3-yl)carbonyloxyhexyl]indole-2-carboxylate iodide

Systemtic Name: methyl 1-[6-(1-methylpyridin-1-ium-3-yl)carbonyloxyhexyl]indole-2-carboxylate iodide Openeye Name: methyl 1-[6-(1-methylpyridin-1-ium-3-carbonyl)oxyhexyl]indole-2-carboxylate iodide CAS Name: 1-[6-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]hexyl]-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[6-(1-methylpyridin-1-ium-3-carbonyl)oxyhexyl]indole-2-carboxylate iodide Traditional Name: 1-[6-(1-methylpyridin-1-ium-3-carbonyl)oxyhexyl]indole-2-carboxylic acid methyl ester iodide Formula: C23H27IN2O4 MolecularWeight: 522.37595

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

InChI

InChI=1S/C23H27N2O4.HI/c1-24-13-9-11-19(17-24)22(26)29-15-8-4-3-7-14-25-20-12-6-5-10-18(20)16-21(25)23(27)28-2;/h5-6,9-13,16-17H,3-4,7-8,14-15H2,1-2H3;1H/q+1;/p-1