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

Systemtic Name: 2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-6-chloranyl-chromen-4-one Openeye Name: 6-chloro-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbonyl]chromone Formula: C18H20ClN2O5S+ MolecularWeight: 411.8798

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C18H19ClN2O5S/c19-12-1-2-16-14(9-12)15(22)10-17(26-16)18(23)21-6-4-20(5-7-21)13-3-8-27(24,25)11-13/h1-2,9-10,13H,3-8,11H2/p+1/t13-/m0/s1