2-(5-nitroindol-1-yl)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-(5-nitroindol-1-yl)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 2-(5-nitroindol-1-yl)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-(5-nitro-1-indolyl)ethyl ester iodide IUPAC Name: 2-(5-nitroindol-1-yl)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-(5-nitroindol-1-yl)ethyl ester iodide Formula: C17H16IN3O4 MolecularWeight: 453.23111

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C17H16N3O4.HI/c1-18-7-2-3-14(12-18)17(21)24-10-9-19-8-6-13-11-15(20(22)23)4-5-16(13)19;/h2-8,11-12H,9-10H2,1H3;1H/q+1;/p-1