7-oxidanyl-3-phenyl-8-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]chromone Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CC=N2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CC=N2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C26H24N2O3/c29-24-13-12-19-25(30)21(18-8-2-1-3-9-18)17-31-26(19)20(24)16-28-15-7-5-11-23(28)22-10-4-6-14-27-22/h1-4,6,8-10,12-14,17,23,29H,5,7,11,15-16H2/p+1/t23-/m0/s1