ethyl 2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate CAS Name: 2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)acetic acid ethyl ester Formula: C9H19N2O4S+ MolecularWeight: 251.32316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C9H18N2O4S/c1-3-15-9(12)8-10-4-6-11(7-5-10)16(2,13)14/h3-8H2,1-2H3/p+1