methyl 1-[8-(1-methylpyridin-1-ium-3-yl)carbonyloxyoctyl]indole-2-carboxylate iodide

Systemtic Name: methyl 1-[8-(1-methylpyridin-1-ium-3-yl)carbonyloxyoctyl]indole-2-carboxylate iodide Openeye Name: methyl 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]indole-2-carboxylate iodide CAS Name: 1-[8-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]octyl]-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]indole-2-carboxylate iodide Traditional Name: 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]indole-2-carboxylic acid methyl ester iodide Formula: C25H31IN2O4 MolecularWeight: 550.42911

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

InChI

InChI=1S/C25H31N2O4.HI/c1-26-15-11-13-21(19-26)24(28)31-17-10-6-4-3-5-9-16-27-22-14-8-7-12-20(22)18-23(27)25(29)30-2;/h7-8,11-15,18-19H,3-6,9-10,16-17H2,1-2H3;1H/q+1;/p-1