[3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate Openeye Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3,5-dimethyl-2-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C20H26NO5S+ MolecularWeight: 392.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C[NH+]3CCOCC3)C

InChI

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