6-propyl-2-[4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-propyl-2-[4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C24H28N4O/c1-2-6-21-15-23(29)27-24(26-21)19-11-9-18(10-12-19)17-28-14-4-3-8-22(28)20-7-5-13-25-16-20/h5,7,9-13,15-16,22H,2-4,6,8,14,17H2,1H3,(H,26,27,29)/p+1/t22-/m0/s1