N-(2-cyanoethyl)-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]acetamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC=C1C2=CC=C(C=C2)OCC(=O)NCCC#N

Isomeric SMILES

C1C[NH2+]CC=C1C2=CC=C(C=C2)OCC(=O)NCCC#N

InChI

InChI=1S/C16H19N3O2/c17-8-1-9-19-16(20)12-21-15-4-2-13(3-5-15)14-6-10-18-11-7-14/h2-6,18H,1,7,9-12H2,(H,19,20)/p+1