[2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate Openeye Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2,5-dimethyl-4-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C20H26NO5S+ MolecularWeight: 392.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25NO5S/c1-15-13-20(16(2)12-17(15)14-21-8-10-25-11-9-21)26-27(22,23)19-6-4-18(24-3)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3/p+1