4-(3,5-dimethoxyphenyl)-4-methyl-morpholin-4-ium; methyl sulfate

Systemtic Name: 4-(3,5-dimethoxyphenyl)-4-methyl-morpholin-4-ium; methyl sulfate Openeye Name: 4-(3,5-dimethoxyphenyl)-4-methyl-morpholin-4-ium; methyl sulfate CAS Name: 4-(3,5-dimethoxyphenyl)-4-methylmorpholin-4-ium; methyl sulfate IUPAC Name: 4-(3,5-dimethoxyphenyl)-4-methylmorpholin-4-ium; methyl sulfate Traditional Name: 4-(3,5-dimethoxyphenyl)-4-methyl-morpholin-4-ium; methyl sulfate Formula: C14H23NO7S MolecularWeight: 349.39992

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)C2=CC(=CC(=C2)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)C2=CC(=CC(=C2)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H20NO3.CH4O4S/c1-14(4-6-17-7-5-14)11-8-12(15-2)10-13(9-11)16-3;1-5-6(2,3)4/h8-10H,4-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1