6-(methoxymethyl)-2-[4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(methoxymethyl)-2-[4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-16-20-13-22(28)26-23(25-20)18-9-7-17(8-10-18)15-27-12-3-2-6-21(27)19-5-4-11-24-14-19/h4-5,7-11,13-14,21H,2-3,6,12,15-16H2,1H3,(H,25,26,28)/p+1/t21-/m0/s1