N-(2-methylphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanamide chloride

Systemtic Name: N-(2-methylphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(o-tolyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]acetamide chloride CAS Name: N-(2-methylphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)acetamide chloride IUPAC Name: N-(2-methylphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)acetamide chloride Traditional Name: N-(o-tolyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]acetamide chloride Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C17H15N3OS.ClH/c1-13-5-2-3-6-14(13)19-17(21)11-20-9-8-15(18-12-20)16-7-4-10-22-16;/h2-10,12H,11H2,1H3;1H