2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide chloride

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide chloride Openeye Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-N-(o-tolyl)acetamide chloride CAS Name: 2-[4-(3,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]-N-(2-methylphenyl)acetamide chloride IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-N-(2-methylphenyl)acetamide chloride Traditional Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-N-(o-tolyl)acetamide chloride Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3.ClH/c1-15-6-4-5-7-17(15)23-21(25)13-24-11-10-18(22-14-24)16-8-9-19(26-2)20(12-16)27-3;/h4-12,14H,13H2,1-3H3;1H