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

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[[(2R)-2-(3-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=CN=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3/c29-24-12-11-20-25(30)22(18-7-2-1-3-8-18)17-31-26(20)21(24)16-28-14-5-4-10-23(28)19-9-6-13-27-15-19/h1-3,6-9,11-13,15,17,23,29H,4-5,10,14,16H2/p+1/t23-/m1/s1