2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbonyl]-6-methyl-chromone Formula: C19H23N2O5S+ MolecularWeight: 391.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C19H22N2O5S/c1-13-2-3-17-15(10-13)16(22)11-18(26-17)19(23)21-7-5-20(6-8-21)14-4-9-27(24,25)12-14/h2-3,10-11,14H,4-9,12H2,1H3/p+1/t14-/m0/s1