N-ethyl-3-[(5-formamido-2-methoxy-phenyl)amino]propanenitrilium

Systemtic Name: N-ethyl-3-[(5-formamido-2-methoxy-phenyl)amino]propanenitrilium Openeye Name: N-ethyl-3-(5-formamido-2-methoxy-anilino)propanenitrilium CAS Name: N-ethyl-3-(5-formamido-2-methoxyanilino)propanenitrilium IUPAC Name: N-ethyl-3-(5-formamido-2-methoxyanilino)propanenitrilium Traditional Name: N-ethyl-3-(5-formamido-2-methoxy-anilino)propiononitrilium Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]#CCCNC1=C(C=CC(=C1)NC=O)OC

Isomeric SMILES

CC[N+]#CCCNC1=C(C=CC(=C1)NC=O)OC

InChI

InChI=1S/C13H17N3O2/c1-3-14-7-4-8-15-12-9-11(16-10-17)5-6-13(12)18-2/h5-6,9-10,15H,3-4,8H2,1-2H3/p+1