2-(3-chloranyl-2-methyl-phenyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-(3-chloranyl-2-methyl-phenyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-(3-chloro-2-methyl-phenyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one CAS Name: 2-(3-chloro-2-methylphenyl)-6-(1-methyl-4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-(3-chloro-2-methylphenyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-(3-chloro-2-methyl-phenyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Formula: C17H21ClN3O+ MolecularWeight: 318.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=NC(=O)C=C(N2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=NC(=O)C=C(N2)C3CC[NH+](CC3)C

InChI

InChI=1S/C17H20ClN3O/c1-11-13(4-3-5-14(11)18)17-19-15(10-16(22)20-17)12-6-8-21(2)9-7-12/h3-5,10,12H,6-9H2,1-2H3,(H,19,20,22)/p+1