6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 6-(1-indolyl)hexyl ester iodide IUPAC Name: 6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 6-indol-1-ylhexyl ester iodide Formula: C21H25IN2O2 MolecularWeight: 464.33987

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=CC=CC=C32.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=CC=CC=C32.[I-]

InChI

InChI=1S/C21H25N2O2.HI/c1-22-13-8-10-19(17-22)21(24)25-16-7-3-2-6-14-23-15-12-18-9-4-5-11-20(18)23;/h4-5,8-13,15,17H,2-3,6-7,14,16H2,1H3;1H/q+1;/p-1