3-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]propyl benzoate

Systemtic Name: 3-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]propyl benzoate Openeye Name: 3-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)propyl benzoate CAS Name: benzoic acid 3-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)propyl ester IUPAC Name: 3-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)propyl benzoate Traditional Name: benzoic acid 3-(1,1-diketo-1,4-thiazinan-4-ium-4-yl)propyl ester Formula: C14H20NO4S+ MolecularWeight: 298.3779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC[NH+]1CCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CS(=O)(=O)CC[NH+]1CCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO4S/c16-14(13-5-2-1-3-6-13)19-10-4-7-15-8-11-20(17,18)12-9-15/h1-3,5-6H,4,7-12H2/p+1