2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]aniline Openeye Name: 2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]aniline CAS Name: 2-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]aniline Traditional Name: [2-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]phenyl]amine Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=CC=CC=C3N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=CC=CC=C3N

InChI

InChI=1S/C14H21N3O2S/c15-13-3-1-2-4-14(13)17-8-6-16(7-9-17)12-5-10-20(18,19)11-12/h1-4,12H,5-11,15H2/p+1/t12-/m0/s1