8-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]methyl]-2-methyl-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]methyl]-2-methyl-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methyl]-7-hydroxy-2-methyl-3-phenyl-chromen-4-one CAS Name: 8-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]methyl]-7-hydroxy-2-methyl-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methyl]-7-hydroxy-2-methyl-3-phenylchromen-4-one Traditional Name: 8-[[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]methyl]-7-hydroxy-2-methyl-3-phenyl-chromone Formula: C25H29N2O5S+ MolecularWeight: 469.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C4CCS(=O)(=O)C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2O5S/c1-17-23(18-5-3-2-4-6-18)24(29)20-7-8-22(28)21(25(20)32-17)15-26-10-12-27(13-11-26)19-9-14-33(30,31)16-19/h2-8,19,28H,9-16H2,1H3/p+1/t19-/m0/s1