N-(2-cyanoethyl)-2-[2-oxidanylideneethyl(phenyl)amino]propanenitrilium

Systemtic Name: N-(2-cyanoethyl)-2-[2-oxidanylideneethyl(phenyl)amino]propanenitrilium Openeye Name: N-(2-cyanoethyl)-2-[N-(2-oxoethyl)anilino]propanenitrilium CAS Name: N-(2-cyanoethyl)-2-[N-(2-oxoethyl)anilino]propanenitrilium IUPAC Name: N-(2-cyanoethyl)-2-[N-(2-oxoethyl)anilino]propanenitrilium Traditional Name: N-(2-cyanoethyl)-2-[N-(2-ketoethyl)anilino]propiononitrilium Formula: C14H16N3O+ MolecularWeight: 242.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#[N+]CCC#N)N(CC=O)C1=CC=CC=C1

Isomeric SMILES

CC(C#[N+]CCC#N)N(CC=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16N3O/c1-13(12-16-9-5-8-15)17(10-11-18)14-6-3-2-4-7-14/h2-4,6-7,11,13H,5,9-10H2,1H3/q+1