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

Systemtic Name: 6-methyl-3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-methyl-3-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-methyl-3-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-methyl-3-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]chromone Formula: C31H29N4O2+ MolecularWeight: 489.58756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCCC(C3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC[C@@H](C3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C31H28N4O2/c1-21-9-10-28-26(16-21)30(36)25(20-37-28)19-35-15-5-8-24(18-35)29-27(22-6-3-2-4-7-22)17-33-31(34-29)23-11-13-32-14-12-23/h2-4,6-7,9-14,16-17,20,24H,5,8,15,18-19H2,1H3/p+1/t24-/m0/s1