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

Systemtic Name: 6-methyl-2-[3-[[(2S)-2-methylpyrrolidin-1-ium-1-yl]methyl]phenyl]-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-[3-[[(2S)-2-methylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-[[(2S)-2-methyl-1-pyrrolidin-1-iumyl]methyl]phenyl]-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-[3-[[(2S)-2-methylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-methyl-2-[3-[[(2S)-2-methylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C(=C(N3)C)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C(=C(N3)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O/c1-17-8-7-13-27(17)16-20-11-6-12-21(14-20)23-25-18(2)22(24(28)26-23)15-19-9-4-3-5-10-19/h3-6,9-12,14,17H,7-8,13,15-16H2,1-2H3,(H,25,26,28)/p+1/t17-/m0/s1