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

Systemtic Name: 2-cyano-N-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]ethanamide Openeye Name: 2-cyano-N-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]acetamide CAS Name: 2-cyano-N-[2-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethyl]acetamide IUPAC Name: 2-cyano-N-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]acetamide Traditional Name: 2-cyano-N-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]acetamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-23-17-14-15(7-9-20-18(22)6-8-19)4-5-16(17)24-13-12-21-10-2-3-11-21/h4-5,14H,2-3,6-7,9-13H2,1H3,(H,20,22)/p+1