1-(1-methylpyridin-1-ium-3-yl)ethyl 3-chloranylbenzoate iodide

Systemtic Name: 1-(1-methylpyridin-1-ium-3-yl)ethyl 3-chloranylbenzoate iodide Openeye Name: 1-(1-methylpyridin-1-ium-3-yl)ethyl 3-chlorobenzoate iodide CAS Name: 3-chlorobenzoic acid 1-(1-methyl-3-pyridin-1-iumyl)ethyl ester iodide IUPAC Name: 1-(1-methylpyridin-1-ium-3-yl)ethyl 3-chlorobenzoate iodide Traditional Name: 3-chlorobenzoic acid 1-(1-methylpyridin-1-ium-3-yl)ethyl ester iodide Formula: C15H15ClINO2 MolecularWeight: 403.64257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[N+](=CC=C1)C)OC(=O)C2=CC(=CC=C2)Cl.[I-]

Isomeric SMILES

CC(C1=C[N+](=CC=C1)C)OC(=O)C2=CC(=CC=C2)Cl.[I-]

InChI

InChI=1S/C15H15ClNO2.HI/c1-11(13-6-4-8-17(2)10-13)19-15(18)12-5-3-7-14(16)9-12;/h3-11H,1-2H3;1H/q+1;/p-1