1,3-benzodioxol-5-ylmethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1,1-dioxothiolan-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1,1-dioxo-3-thiolanyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1,1-dioxothiolan-3-yl]azanium Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-piperonyl-ammonium Formula: C12H16NO4S+ MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H15NO4S/c14-18(15)4-3-10(7-18)13-6-9-1-2-11-12(5-9)17-8-16-11/h1-2,5,10,13H,3-4,6-8H2/p+1/t10-/m0/s1