2-[3-methyl-1-(quinolin-3-ylmethyl)pyridin-1-ium-4-yl]-2-oxidanyl-butanoic acid iodide

Systemtic Name: 2-[3-methyl-1-(quinolin-3-ylmethyl)pyridin-1-ium-4-yl]-2-oxidanyl-butanoic acid iodide Openeye Name: 2-hydroxy-2-[3-methyl-1-(3-quinolylmethyl)pyridin-1-ium-4-yl]butanoic acid iodide CAS Name: 2-hydroxy-2-[3-methyl-1-(3-quinolinylmethyl)-4-pyridin-1-iumyl]butanoic acid iodide IUPAC Name: 2-hydroxy-2-[3-methyl-1-(quinolin-3-ylmethyl)pyridin-1-ium-4-yl]butanoic acid iodide Traditional Name: 2-hydroxy-2-[3-methyl-1-(3-quinolylmethyl)pyridin-1-ium-4-yl]butyric acid iodide Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2)C)(C(=O)O)O.[I-]

Isomeric SMILES

CCC(C1=C(C=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2)C)(C(=O)O)O.[I-]

InChI

InChI=1S/C20H20N2O3.HI/c1-3-20(25,19(23)24)17-8-9-22(12-14(17)2)13-15-10-16-6-4-5-7-18(16)21-11-15;/h4-12,25H,3,13H2,1-2H3;1H