8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromone Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C23H25NO3/c1-15-10-16(2)12-24(11-15)13-19-21(25)9-8-18-22(26)20(14-27-23(18)19)17-6-4-3-5-7-17/h3-9,14-16,25H,10-13H2,1-2H3/p+1/t15-,16-/m0/s1