[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-(2-pyridylmethyl)ammonium CAS Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-(2-pyridylmethyl)ammonium Formula: C21H22N3O+ MolecularWeight: 332.41888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=CC=N3

InChI

InChI=1S/C21H21N3O/c1-16-10-12-18(13-11-16)24-21(25)20(17-7-3-2-4-8-17)23-15-19-9-5-6-14-22-19/h2-14,20,23H,15H2,1H3,(H,24,25)/p+1/t20-/m0/s1