6-(5-nitroindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 6-(5-nitroindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 6-(5-nitroindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 6-(5-nitro-1-indolyl)hexyl ester iodide IUPAC Name: 6-(5-nitroindol-1-yl)hexyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 6-(5-nitroindol-1-yl)hexyl ester iodide Formula: C21H24IN3O4 MolecularWeight: 509.33743

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C21H24N3O4.HI/c1-22-11-6-7-18(16-22)21(25)28-14-5-3-2-4-12-23-13-10-17-15-19(24(26)27)8-9-20(17)23;/h6-11,13,15-16H,2-5,12,14H2,1H3;1H/q+1;/p-1