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

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3,4-dimethoxybenzoate Openeye Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2,5-dimethyl-4-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C22H28NO5+ MolecularWeight: 386.46142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-15-12-20(16(2)11-18(15)14-23-7-9-27-10-8-23)28-22(24)17-5-6-19(25-3)21(13-17)26-4/h5-6,11-13H,7-10,14H2,1-4H3/p+1