phenyl 2-morpholin-4-ium-4-ylethanesulfonate

Systemtic Name: phenyl 2-morpholin-4-ium-4-ylethanesulfonate Openeye Name: phenyl 2-morpholin-4-ium-4-ylethanesulfonate CAS Name: 2-(4-morpholin-4-iumyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-morpholin-4-ium-4-ylethanesulfonate Traditional Name: 2-morpholin-4-ium-4-ylethanesulfonic acid phenyl ester Formula: C12H18NO4S+ MolecularWeight: 272.34062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

C1COCC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H17NO4S/c14-18(15,17-12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2/p+1