2-(3,4-dichlorophenyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-(3,4-dichlorophenyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-(3,4-dichlorophenyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(3,4-dichlorophenyl)-6-[(3S)-1-methyl-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(3,4-dichlorophenyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-(3,4-dichlorophenyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C16H18Cl2N3O+ MolecularWeight: 339.23962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C2=CC(=O)N=C(N2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C2=CC(=O)N=C(N2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O/c1-21-6-2-3-11(9-21)14-8-15(22)20-16(19-14)10-4-5-12(17)13(18)7-10/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,19,20,22)/p+1/t11-/m0/s1