2-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-dioxothiolan-3-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[(3S)-1,1-dioxothiolan-3-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-(piperonylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-19(2)6-7-20(14-5-8-26(21,22)11-14)17(25)18-10-13-3-4-15-16(9-13)24-12-23-15/h3-4,9,14H,5-8,10-12H2,1-2H3,(H,18,25)/p+1/t14-/m0/s1