N-phenyl-3-[2-(propanoylamino)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-phenyl-3-[2-(propanoylamino)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide Openeye Name: N-phenyl-3-[2-(propanoylamino)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide CAS Name: 3-[2-(1-oxopropylamino)ethyl]-N-phenyl-1-propyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-phenyl-3-[2-(propanoylamino)ethyl]-1-propylpyridin-1-ium-2-carboxamide Traditional Name: N-phenyl-3-(2-propionamidoethyl)-1-propyl-pyridin-1-ium-2-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)CC

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)CC

InChI

InChI=1S/C20H25N3O2/c1-3-14-23-15-8-9-16(12-13-21-18(24)4-2)19(23)20(25)22-17-10-6-5-7-11-17/h5-11,15H,3-4,12-14H2,1-2H3,(H-,21,22,24,25)/p+1