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

Systemtic Name: methyl 1-methyl-3-[(1-methylpyridin-1-ium-3-yl)methyl]indole-2-carboxylate iodide Openeye Name: methyl 1-methyl-3-[(1-methylpyridin-1-ium-3-yl)methyl]indole-2-carboxylate iodide CAS Name: 1-methyl-3-[(1-methyl-3-pyridin-1-iumyl)methyl]-2-indolecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-methyl-3-[(1-methylpyridin-1-ium-3-yl)methyl]indole-2-carboxylate iodide Traditional Name: 1-methyl-3-[(1-methylpyridin-1-ium-3-yl)methyl]indole-2-carboxylic acid methyl ester iodide Formula: C18H19IN2O2 MolecularWeight: 422.26013

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)OC)CC3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)OC)CC3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C18H19N2O2.HI/c1-19-10-6-7-13(12-19)11-15-14-8-4-5-9-16(14)20(2)17(15)18(21)22-3;/h4-10,12H,11H2,1-3H3;1H/q+1;/p-1