N,N-diethyl-7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1-benzofuran-4-amine iodide

Systemtic Name: N,N-diethyl-7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1-benzofuran-4-amine iodide Openeye Name: N,N-diethyl-7-methoxy-2-(1-methylpyridin-1-ium-4-yl)benzofuran-4-amine iodide CAS Name: N,N-diethyl-7-methoxy-2-(1-methyl-4-pyridin-1-iumyl)-4-benzofuranamine iodide IUPAC Name: N,N-diethyl-7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1-benzofuran-4-amine iodide Traditional Name: diethyl-[7-methoxy-2-(1-methylpyridin-1-ium-4-yl)benzofuran-4-yl]amine iodide Formula: C19H23IN2O2 MolecularWeight: 438.30259

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C=C(OC2=C(C=C1)OC)C3=CC=[N+](C=C3)C.[I-]

Isomeric SMILES

CCN(CC)C1=C2C=C(OC2=C(C=C1)OC)C3=CC=[N+](C=C3)C.[I-]

InChI

InChI=1S/C19H23N2O2.HI/c1-5-21(6-2)16-7-8-17(22-4)19-15(16)13-18(23-19)14-9-11-20(3)12-10-14;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1