(2R,3R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-3-morpholin-4-ium-4-yl-2-oxidanyl-propan-1-one

Systemtic Name: (2R,3R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-3-morpholin-4-ium-4-yl-2-oxidanyl-propan-1-one Openeye Name: (2R,3R)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-morpholin-4-ium-4-yl-3-(p-tolyl)propan-1-one CAS Name: (2R,3R)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-(4-methylphenyl)-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: (2R,3R)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-(4-methylphenyl)-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: (2R,3R)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-morpholin-4-ium-4-yl-3-(p-tolyl)propan-1-one Formula: C22H28NO5+ MolecularWeight: 386.46142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-15-4-6-16(7-5-15)20(23-10-12-28-13-11-23)22(25)21(24)17-8-9-18(26-2)19(14-17)27-3/h4-9,14,20,22,25H,10-13H2,1-3H3/p+1/t20-,22-/m1/s1