4-cyano-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-cyano-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-cyano-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-cyano-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H25N3O4/c1-27-20-8-7-18(13-21(20)28-2)19(25-9-11-29-12-10-25)15-24-22(26)17-5-3-16(14-23)4-6-17/h3-8,13,19H,9-12,15H2,1-2H3,(H,24,26)/p+1/t19-/m0/s1