7-(5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 7-(5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 7-(5-benzyloxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 7-(5-phenylmethoxy-1-indolyl)heptyl ester iodide IUPAC Name: 7-(5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 7-(5-benzoxyindol-1-yl)heptyl ester iodide Formula: C29H33IN2O3 MolecularWeight: 584.48839

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C29H33N2O3.HI/c1-30-17-10-13-26(22-30)29(32)33-20-9-4-2-3-8-18-31-19-16-25-21-27(14-15-28(25)31)34-23-24-11-6-5-7-12-24;/h5-7,10-17,19,21-22H,2-4,8-9,18,20,23H2,1H3;1H/q+1;/p-1