6-(2,5-dimethylfuran-3-yl)-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2,5-dimethylfuran-3-yl)-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2,5-dimethyl-3-furyl)-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2,5-dimethyl-3-furanyl)-2-[4-[[(3S)-3-methoxy-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2,5-dimethyl-3-furyl)-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCCC(C4)OC

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCC[C@@H](C4)OC

InChI

InChI=1S/C23H27N3O3/c1-15-11-20(16(2)29-15)21-12-22(27)25-23(24-21)18-8-6-17(7-9-18)13-26-10-4-5-19(14-26)28-3/h6-9,11-12,19H,4-5,10,13-14H2,1-3H3,(H,24,25,27)/p+1/t19-/m0/s1