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

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[(2S)-2-thiophen-2-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-(2-thienyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-thiophen-2-yl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-thiophen-2-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-(2-thienyl)piperidin-1-ium-1-yl]methyl]chromone Formula: C25H24NO3S+ MolecularWeight: 418.52796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CS2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CS2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C25H23NO3S/c27-22-12-11-18-24(28)20(17-7-2-1-3-8-17)16-29-25(18)19(22)15-26-13-5-4-9-21(26)23-10-6-14-30-23/h1-3,6-8,10-12,14,16,21,27H,4-5,9,13,15H2/p+1/t21-/m0/s1