3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-dioxothiolan-3-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-dioxothiolan-3-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1,1-diketothiolan-3-yl]-(piperonylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C18H28N3O4S2+ MolecularWeight: 414.56262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1CCS(=O)(=O)C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O4S2/c1-20(2)7-3-8-21(15-6-9-27(22,23)12-15)18(26)19-11-14-4-5-16-17(10-14)25-13-24-16/h4-5,10,15H,3,6-9,11-13H2,1-2H3,(H,19,26)/p+1/t15-/m0/s1