methyl 1-[9-(1-methylpyridin-1-ium-3-yl)carbonyloxynonyl]-5-phenylmethoxy-indole-2-carboxylate iodide

Systemtic Name: methyl 1-[9-(1-methylpyridin-1-ium-3-yl)carbonyloxynonyl]-5-phenylmethoxy-indole-2-carboxylate iodide Openeye Name: methyl 5-benzyloxy-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]-5-phenylmethoxy-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[9-(1-methylpyridin-1-ium-3-carbonyl)oxynonyl]-5-phenylmethoxyindole-2-carboxylate iodide Traditional Name: 5-benzoxy-1-[9-(1-methylpyridin-1-ium-3-carbonyl)oxynonyl]indole-2-carboxylic acid methyl ester iodide Formula: C33H39IN2O5 MolecularWeight: 670.57763

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

InChI

InChI=1S/C33H39N2O5.HI/c1-34-19-13-16-27(24-34)32(36)39-21-12-7-5-3-4-6-11-20-35-30-18-17-29(40-25-26-14-9-8-10-15-26)22-28(30)23-31(35)33(37)38-2;/h8-10,13-19,22-24H,3-7,11-12,20-21,25H2,1-2H3;1H/q+1;/p-1