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8-(5-oxidanylindol-1-yl)octyl pyridin-1-ium-3-carboxylate iodide

8-(5-oxidanylindol-1-yl)octyl pyridin-1-ium-3-carboxylate iodide

Systemtic Name:8-(5-oxidanylindol-1-yl)octyl pyridin-1-ium-3-carboxylate iodide
Openeye Name:8-(5-hydroxyindol-1-yl)octyl pyridin-1-ium-3-carboxylate iodide
CAS Name:3-pyridin-1-iumcarboxylic acid 8-(5-hydroxy-1-indolyl)octyl ester iodide
IUPAC Name:8-(5-hydroxyindol-1-yl)octyl pyridin-1-ium-3-carboxylate iodide
Traditional Name:pyridin-1-ium-3-carboxylic acid 8-(5-hydroxyindol-1-yl)octyl ester iodide
Formula: C22H27IN2O3
MolecularWeight: 494.36585
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H26N2O3.HI/c25-20-9-10-21-18(16-20)11-14-24(21)13-5-3-1-2-4-6-15-27-22(26)19-8-7-12-23-17-19;/h7-12,14,16-17,25H,1-6,13,15H2;1H


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