8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(5-nitro-1-indolyl)octyl ester iodide IUPAC Name: 8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(5-nitroindol-1-yl)octyl ester iodide Formula: C23H28IN3O4 MolecularWeight: 537.39059

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C23H28N3O4.HI/c1-24-13-8-9-20(18-24)23(27)30-16-7-5-3-2-4-6-14-25-15-12-19-17-21(26(28)29)10-11-22(19)25;/h8-13,15,17-18H,2-7,14,16H2,1H3;1H/q+1;/p-1