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

Systemtic Name: 6-cyclopropyl-2-[3-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-cyclopropyl-2-[3-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-cyclopropyl-2-[3-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-cyclopropyl-2-[3-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-cyclopropyl-2-[3-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C5CC5

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C5CC5

InChI

InChI=1S/C24H26N4O/c29-23-14-21(18-9-10-18)26-24(27-23)19-6-3-5-17(13-19)16-28-12-2-1-8-22(28)20-7-4-11-25-15-20/h3-7,11,13-15,18,22H,1-2,8-10,12,16H2,(H,26,27,29)/p+1/t22-/m0/s1