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

Systemtic Name: 2-cyano-N-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]ethanamide Openeye Name: 2-cyano-N-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]acetamide CAS Name: 2-cyano-N-[2-[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethyl]acetamide IUPAC Name: 2-cyano-N-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]acetamide Traditional Name: 2-cyano-N-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCNC(=O)CC#N)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCNC(=O)CC#N)OCC[NH+]2CCCC2

InChI

InChI=1S/C19H27N3O3/c1-2-24-18-15-16(8-10-21-19(23)7-9-20)5-6-17(18)25-14-13-22-11-3-4-12-22/h5-6,15H,2-4,7-8,10-14H2,1H3,(H,21,23)/p+1