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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCC[C@H]3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H23NO3S/c1-16-23(17-7-3-2-4-8-17)24(28)18-11-12-21(27)19(25(18)29-16)15-26-13-5-9-20(26)22-10-6-14-30-22/h2-4,6-8,10-12,14,20,27H,5,9,13,15H2,1H3/p+1/t20-/m0/s1