[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-[(1S)-1-phenylethyl]ammonium Formula: C17H17ClN3O+ MolecularWeight: 314.78938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H16ClN3O/c1-12(13-5-3-2-4-6-13)20-11-17(22)21-15-8-7-14(10-19)16(18)9-15/h2-9,12,20H,11H2,1H3,(H,21,22)/p+1/t12-/m0/s1