2-[4-[[(2S)-2-(3-oxidanylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-propan-2-yl-1H-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCCC3CCCO

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC[C@H]3CCCO

InChI

InChI=1S/C22H31N3O2/c1-16(2)20-14-21(27)24-22(23-20)18-10-8-17(9-11-18)15-25-12-4-3-6-19(25)7-5-13-26/h8-11,14,16,19,26H,3-7,12-13,15H2,1-2H3,(H,23,24,27)/p+1/t19-/m0/s1