methyl 1-[6-(1-methylpyridin-1-ium-3-yl)carbonyloxyhexyl]-5-phenylmethoxy-indole-2-carboxylate iodide

Systemtic Name: methyl 1-[6-(1-methylpyridin-1-ium-3-yl)carbonyloxyhexyl]-5-phenylmethoxy-indole-2-carboxylate iodide Openeye Name: methyl 5-benzyloxy-1-[6-(1-methylpyridin-1-ium-3-carbonyl)oxyhexyl]indole-2-carboxylate iodide CAS Name: 1-[6-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]hexyl]-5-phenylmethoxy-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-[6-(1-methylpyridin-1-ium-3-carbonyl)oxyhexyl]-5-phenylmethoxyindole-2-carboxylate iodide Traditional Name: 5-benzoxy-1-[6-(1-methylpyridin-1-ium-3-carbonyl)oxyhexyl]indole-2-carboxylic acid methyl ester iodide Formula: C30H33IN2O5 MolecularWeight: 628.49789

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

InChI

InChI=1S/C30H33N2O5.HI/c1-31-16-10-13-24(21-31)29(33)36-18-9-4-3-8-17-32-27-15-14-26(37-22-23-11-6-5-7-12-23)19-25(27)20-28(32)30(34)35-2;/h5-7,10-16,19-21H,3-4,8-9,17-18,22H2,1-2H3;1H/q+1;/p-1