6-methyl-2-[3-[[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-[[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[3-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3S)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[3-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[3-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(C3)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CC[C@@H](C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-16-21(13-17-6-3-2-4-7-17)23(28)25-22(24-16)19-9-5-8-18(12-19)14-26-11-10-20(27)15-26/h2-9,12,20,27H,10-11,13-15H2,1H3,(H,24,25,28)/p+1/t20-/m0/s1