[2-azaniumyl-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,3-oxathiolan-2-yl]azanium

Systemtic Name: [2-azaniumyl-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,3-oxathiolan-2-yl]azanium Openeye Name: [2-azaniumyl-5-[(1,3-dioxoisoindolin-2-yl)methyl]-1,3-oxathiolan-2-yl]ammonium CAS Name: [2-ammonio-5-[(1,3-dioxo-2-isoindolyl)methyl]-1,3-oxathiolan-2-yl]ammonium IUPAC Name: [2-azaniumyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-oxathiolan-2-yl]azanium Traditional Name: [2-ammonio-5-(phthalimidomethyl)-1,3-oxathiolan-2-yl]ammonium Formula: C12H15N3O3S+2 MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)([NH3+])[NH3+])CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1C(OC(S1)([NH3+])[NH3+])CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C12H13N3O3S/c13-12(14)18-7(6-19-12)5-15-10(16)8-3-1-2-4-9(8)11(15)17/h1-4,7H,5-6,13-14H2/p+2