methyl 3-[(1-methylpyridin-1-ium-2-yl)-oxidanyl-methyl]-1H-indole-2-carboxylate iodide

Systemtic Name: methyl 3-[(1-methylpyridin-1-ium-2-yl)-oxidanyl-methyl]-1H-indole-2-carboxylate iodide Openeye Name: methyl 3-[hydroxy-(1-methylpyridin-1-ium-2-yl)methyl]-1H-indole-2-carboxylate iodide CAS Name: 3-[hydroxy-(1-methyl-2-pyridin-1-iumyl)methyl]-1H-indole-2-carboxylic acid methyl ester iodide IUPAC Name: methyl 3-[hydroxy-(1-methylpyridin-1-ium-2-yl)methyl]-1H-indole-2-carboxylate iodide Traditional Name: 3-[hydroxy-(1-methylpyridin-1-ium-2-yl)methyl]-1H-indole-2-carboxylic acid methyl ester iodide Formula: C17H17IN2O3 MolecularWeight: 424.23295

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(C2=C(NC3=CC=CC=C32)C(=O)OC)O.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(C2=C(NC3=CC=CC=C32)C(=O)OC)O.[I-]

InChI

InChI=1S/C17H16N2O3.HI/c1-19-10-6-5-9-13(19)16(20)14-11-7-3-4-8-12(11)18-15(14)17(21)22-2;/h3-10,16,20H,1-2H3;1H