[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C15H21N2O3S+ MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c18-15(13-4-2-1-3-5-13)17-9-7-16(8-10-17)14-6-11-21(19,20)12-14/h1-5,14H,6-12H2/p+1/t14-/m0/s1