ethyl (4R)-4-cyano-4-morpholin-4-ium-4-yl-4-(3,4,5-trimethoxyphenyl)butanoate

Systemtic Name: ethyl (4R)-4-cyano-4-morpholin-4-ium-4-yl-4-(3,4,5-trimethoxyphenyl)butanoate Openeye Name: ethyl (4R)-4-cyano-4-morpholin-4-ium-4-yl-4-(3,4,5-trimethoxyphenyl)butanoate CAS Name: (4R)-4-cyano-4-(4-morpholin-4-iumyl)-4-(3,4,5-trimethoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl (4R)-4-cyano-4-morpholin-4-ium-4-yl-4-(3,4,5-trimethoxyphenyl)butanoate Traditional Name: (4R)-4-cyano-4-morpholin-4-ium-4-yl-4-(3,4,5-trimethoxyphenyl)butyric acid ethyl ester Formula: C20H29N2O6+ MolecularWeight: 393.45406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C#N)(C1=CC(=C(C(=C1)OC)OC)OC)[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)CC[C@](C#N)(C1=CC(=C(C(=C1)OC)OC)OC)[NH+]2CCOCC2

InChI

InChI=1S/C20H28N2O6/c1-5-28-18(23)6-7-20(14-21,22-8-10-27-11-9-22)15-12-16(24-2)19(26-4)17(13-15)25-3/h12-13H,5-11H2,1-4H3/p+1/t20-/m0/s1