3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-2-one

Systemtic Name: 3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-2-one Openeye Name: 3-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1H-quinolin-2-one CAS Name: 3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]-1H-quinolin-2-one IUPAC Name: 3-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-2-one Traditional Name: 3-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]carbostyril Formula: C30H28N5O+ MolecularWeight: 474.57622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3NC2=O)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3NC2=O)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C30H27N5O/c36-30-25(17-23-9-4-5-11-27(23)33-30)20-35-16-6-10-24(19-35)28-26(21-7-2-1-3-8-21)18-32-29(34-28)22-12-14-31-15-13-22/h1-5,7-9,11-15,17-18,24H,6,10,16,19-20H2,(H,33,36)/p+1/t24-/m0/s1