N-[[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-ethanamide

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[3-chloro-5-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]-2-cyano-acetamide Formula: C18H25ClN3O3+ MolecularWeight: 366.8624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C18H24ClN3O3/c1-24-16-12-14(13-21-17(23)5-6-20)11-15(19)18(16)25-10-9-22-7-3-2-4-8-22/h11-12H,2-5,7-10,13H2,1H3,(H,21,23)/p+1