2-[2-[2-(5-phenylmethoxyindol-1-yl)ethoxy]ethoxy]ethyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-[2-[2-(5-phenylmethoxyindol-1-yl)ethoxy]ethoxy]ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 2-[2-[2-(5-benzyloxyindol-1-yl)ethoxy]ethoxy]ethyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-[2-[2-(5-phenylmethoxy-1-indolyl)ethoxy]ethoxy]ethyl ester iodide IUPAC Name: 2-[2-[2-(5-phenylmethoxyindol-1-yl)ethoxy]ethoxy]ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-[2-[2-(5-benzoxyindol-1-yl)ethoxy]ethoxy]ethyl ester iodide Formula: C28H31IN2O5 MolecularWeight: 602.46061

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCOCCOCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCOCCOCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C28H31N2O5.HI/c1-29-12-5-8-25(21-29)28(31)34-19-18-33-17-16-32-15-14-30-13-11-24-20-26(9-10-27(24)30)35-22-23-6-3-2-4-7-23;/h2-13,20-21H,14-19,22H2,1H3;1H/q+1;/p-1