N-(4-methoxyphenyl)-1-methyl-2-pyrimidin-4-yl-pyridin-1-ium-3-amine iodide

Systemtic Name: N-(4-methoxyphenyl)-1-methyl-2-pyrimidin-4-yl-pyridin-1-ium-3-amine iodide Openeye Name: N-(4-methoxyphenyl)-1-methyl-2-pyrimidin-4-yl-pyridin-1-ium-3-amine iodide CAS Name: N-(4-methoxyphenyl)-1-methyl-2-(4-pyrimidinyl)-3-pyridin-1-iumamine iodide IUPAC Name: N-(4-methoxyphenyl)-1-methyl-2-pyrimidin-4-ylpyridin-1-ium-3-amine iodide Traditional Name: (4-methoxyphenyl)-[1-methyl-2-(4-pyrimidyl)pyridin-1-ium-3-yl]amine iodide Formula: C17H17IN4O MolecularWeight: 420.24755

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1C2=NC=NC=C2)NC3=CC=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1C2=NC=NC=C2)NC3=CC=C(C=C3)OC.[I-]

InChI

InChI=1S/C17H17N4O.HI/c1-21-11-3-4-16(17(21)15-9-10-18-12-19-15)20-13-5-7-14(22-2)8-6-13;/h3-12,20H,1-2H3;1H/q+1;/p-1