N-[[3-chloranyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyano-ethanamide

Systemtic Name: N-[[3-chloranyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[3-chloro-5-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzyl]-2-cyano-acetamide Formula: C18H25ClN3O4+ MolecularWeight: 382.8618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCC[NH+]2CCOCC2

InChI

InChI=1S/C18H24ClN3O4/c1-2-25-16-12-14(13-21-17(23)3-4-20)11-15(19)18(16)26-10-7-22-5-8-24-9-6-22/h11-12H,2-3,5-10,13H2,1H3,(H,21,23)/p+1