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

Systemtic Name: 5-(5-nitroindol-1-yl)pentyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 5-(5-nitroindol-1-yl)pentyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 5-(5-nitro-1-indolyl)pentyl ester iodide IUPAC Name: 5-(5-nitroindol-1-yl)pentyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 5-(5-nitroindol-1-yl)pentyl ester iodide Formula: C20H22IN3O4 MolecularWeight: 495.31085

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C20H22N3O4.HI/c1-21-10-5-6-17(15-21)20(24)27-13-4-2-3-11-22-12-9-16-14-18(23(25)26)7-8-19(16)22;/h5-10,12,14-15H,2-4,11,13H2,1H3;1H/q+1;/p-1