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

Systemtic Name: methyl 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylate iodide Openeye Name: methyl 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylate iodide CAS Name: 3-[(1-methyl-3-pyridin-1-iumyl)methyl]-1H-indole-2-carboxylic acid methyl ester iodide IUPAC Name: methyl 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylate iodide Traditional Name: 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylic acid methyl ester iodide Formula: C17H17IN2O2 MolecularWeight: 408.23355

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC2=C(NC3=CC=CC=C32)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC2=C(NC3=CC=CC=C32)C(=O)OC.[I-]

InChI

InChI=1S/C17H16N2O2.HI/c1-19-9-5-6-12(11-19)10-14-13-7-3-4-8-15(13)18-16(14)17(20)21-2;/h3-9,11H,10H2,1-2H3;1H