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

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]-2-cyano-acetamide Formula: C17H23ClN3O3+ MolecularWeight: 352.83582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C17H22ClN3O3/c1-23-15-11-13(12-20-16(22)4-5-19)10-14(18)17(15)24-9-8-21-6-2-3-7-21/h10-11H,2-4,6-9,12H2,1H3,(H,20,22)/p+1