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

Systemtic Name: 3-(5-nitroindol-1-yl)propyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 3-(5-nitroindol-1-yl)propyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 3-(5-nitro-1-indolyl)propyl ester iodide IUPAC Name: 3-(5-nitroindol-1-yl)propyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 3-(5-nitroindol-1-yl)propyl ester iodide Formula: C18H18IN3O4 MolecularWeight: 467.25769

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C18H18N3O4.HI/c1-19-8-2-4-15(13-19)18(22)25-11-3-9-20-10-7-14-12-16(21(23)24)5-6-17(14)20;/h2,4-8,10,12-13H,3,9,11H2,1H3;1H/q+1;/p-1