6-tert-butyl-2-[4-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[4-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[4-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[4-[[(3S)-3-(methoxymethyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[4-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[4-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC(C3)COC

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC[C@@H](C3)COC

InChI

InChI=1S/C22H31N3O2/c1-22(2,3)19-12-20(26)24-21(23-19)18-9-7-16(8-10-18)13-25-11-5-6-17(14-25)15-27-4/h7-10,12,17H,5-6,11,13-15H2,1-4H3,(H,23,24,26)/p+1/t17-/m0/s1