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

Systemtic Name: 3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]chromone Formula: C30H27N4O2+ MolecularWeight: 475.56098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C30H26N4O2/c35-29-24(20-36-27-11-5-4-10-25(27)29)19-34-16-6-9-23(18-34)28-26(21-7-2-1-3-8-21)17-32-30(33-28)22-12-14-31-15-13-22/h1-5,7-8,10-15,17,20,23H,6,9,16,18-19H2/p+1/t23-/m0/s1