methyl 1-[7-(1-methylpyridin-1-ium-3-yl)carbonyloxyheptyl]indole-2-carboxylate iodide

Systemtic Name: methyl 1-[7-(1-methylpyridin-1-ium-3-yl)carbonyloxyheptyl]indole-2-carboxylate iodide Openeye Name: methyl 1-[7-(1-methylpyridin-1-ium-3-carbonyl)oxyheptyl]indole-2-carboxylate iodide CAS Name: 1-[7-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]heptyl]-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[7-(1-methylpyridin-1-ium-3-carbonyl)oxyheptyl]indole-2-carboxylate iodide Traditional Name: 1-[7-(1-methylpyridin-1-ium-3-carbonyl)oxyheptyl]indole-2-carboxylic acid methyl ester iodide Formula: C24H29IN2O4 MolecularWeight: 536.40253

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

InChI

InChI=1S/C24H29N2O4.HI/c1-25-14-10-12-20(18-25)23(27)30-16-9-5-3-4-8-15-26-21-13-7-6-11-19(21)17-22(26)24(28)29-2;/h6-7,10-14,17-18H,3-5,8-9,15-16H2,1-2H3;1H/q+1;/p-1