7-(5-nitroindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 7-(5-nitroindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 7-(5-nitroindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 7-(5-nitro-1-indolyl)heptyl ester iodide IUPAC Name: 7-(5-nitroindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 7-(5-nitroindol-1-yl)heptyl ester iodide Formula: C22H26IN3O4 MolecularWeight: 523.36401

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C22H26N3O4.HI/c1-23-12-7-8-19(17-23)22(26)29-15-6-4-2-3-5-13-24-14-11-18-16-20(25(27)28)9-10-21(18)24;/h7-12,14,16-17H,2-6,13,15H2,1H3;1H/q+1;/p-1