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

Systemtic Name: 2-cyano-N-[[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]ethanamide Openeye Name: 2-cyano-N-[[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]acetamide CAS Name: 2-cyano-N-[[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]acetamide IUPAC Name: 2-cyano-N-[[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]acetamide Traditional Name: 2-cyano-N-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]acetamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-22-15-5-4-14(13-19-17(21)6-7-18)12-16(15)23-11-10-20-8-2-3-9-20/h4-5,12H,2-3,6,8-11,13H2,1H3,(H,19,21)/p+1