1-[4-(1-sulfooxyethyl)piperazin-1-yl]ethyl hydrogen sulfate

Systemtic Name: 1-[4-(1-sulfooxyethyl)piperazin-1-yl]ethyl hydrogen sulfate Openeye Name: 1-[4-(1-sulfooxyethyl)piperazin-1-yl]ethyl hydrogen sulfate CAS Name: sulfuric acid 1-[4-(1-sulfooxyethyl)-1-piperazinyl]ethyl ester IUPAC Name: 1-[4-(1-sulfooxyethyl)piperazin-1-yl]ethyl hydrogen sulfate Traditional Name: sulfuric acid 1-[4-(1-sulfoxyethyl)piperazino]ethyl ester Formula: C8H18N2O8S2 MolecularWeight: 334.36712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)C(C)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(N1CCN(CC1)C(C)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C8H18N2O8S2/c1-7(17-19(11,12)13)9-3-5-10(6-4-9)8(2)18-20(14,15)16/h7-8H,3-6H2,1-2H3,(H,11,12,13)(H,14,15,16)