methyl 1-[9-(1-methylpyridin-1-ium-3-yl)carbonyloxynonyl]indole-2-carboxylate iodide

Systemtic Name: methyl 1-[9-(1-methylpyridin-1-ium-3-yl)carbonyloxynonyl]indole-2-carboxylate iodide Openeye Name: methyl 1-[9-(1-methylpyridin-1-ium-3-carbonyl)oxynonyl]indole-2-carboxylate iodide CAS Name: 1-[9-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]nonyl]-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[9-(1-methylpyridin-1-ium-3-carbonyl)oxynonyl]indole-2-carboxylate iodide Traditional Name: 1-[9-(1-methylpyridin-1-ium-3-carbonyl)oxynonyl]indole-2-carboxylic acid methyl ester iodide Formula: C26H33IN2O4 MolecularWeight: 564.45569

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

InChI

InChI=1S/C26H33N2O4.HI/c1-27-16-12-14-22(20-27)25(29)32-18-11-7-5-3-4-6-10-17-28-23-15-9-8-13-21(23)19-24(28)26(30)31-2;/h8-9,12-16,19-20H,3-7,10-11,17-18H2,1-2H3;1H/q+1;/p-1