2-[4-methyl-6-(4-methylpiperidin-1-ium-1-yl)pyrimidin-2-yl]phenolate

Systemtic Name: 2-[4-methyl-6-(4-methylpiperidin-1-ium-1-yl)pyrimidin-2-yl]phenolate Openeye Name: 2-[4-methyl-6-(4-methylpiperidin-1-ium-1-yl)pyrimidin-2-yl]phenolate CAS Name: 2-[4-methyl-6-(4-methyl-1-piperidin-1-iumyl)-2-pyrimidinyl]phenolate IUPAC Name: 2-[4-methyl-6-(4-methylpiperidin-1-ium-1-yl)pyrimidin-2-yl]phenolate Traditional Name: 2-[4-methyl-6-(4-methylpiperidin-1-ium-1-yl)pyrimidin-2-yl]phenolate Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2=NC(=NC(=C2)C)C3=CC=CC=C3[O-]

Isomeric SMILES

CC1CC[NH+](CC1)C2=NC(=NC(=C2)C)C3=CC=CC=C3[O-]

InChI

InChI=1S/C17H21N3O/c1-12-7-9-20(10-8-12)16-11-13(2)18-17(19-16)14-5-3-4-6-15(14)21/h3-6,11-12,21H,7-10H2,1-2H3