methyl 1-[8-(1-methylpyridin-1-ium-4-yl)carbonyloxyoctyl]-5-phenylmethoxy-indole-2-carboxylate iodide

Systemtic Name: methyl 1-[8-(1-methylpyridin-1-ium-4-yl)carbonyloxyoctyl]-5-phenylmethoxy-indole-2-carboxylate iodide Openeye Name: methyl 5-benzyloxy-1-[8-(1-methylpyridin-1-ium-4-carbonyl)oxyoctyl]indole-2-carboxylate iodide CAS Name: 1-[8-[(1-methyl-4-pyridin-1-iumyl)-oxomethoxy]octyl]-5-phenylmethoxy-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[8-(1-methylpyridin-1-ium-4-carbonyl)oxyoctyl]-5-phenylmethoxyindole-2-carboxylate iodide Traditional Name: 5-benzoxy-1-[8-(1-methylpyridin-1-ium-4-carbonyl)oxyoctyl]indole-2-carboxylic acid methyl ester iodide Formula: C32H37IN2O5 MolecularWeight: 656.55105

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

InChI

InChI=1S/C32H37N2O5.HI/c1-33-19-16-26(17-20-33)31(35)38-21-11-6-4-3-5-10-18-34-29-15-14-28(39-24-25-12-8-7-9-13-25)22-27(29)23-30(34)32(36)37-2;/h7-9,12-17,19-20,22-23H,3-6,10-11,18,21,24H2,1-2H3;1H/q+1;/p-1