[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-(4-pyridylmethyl)ammonium Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=NC=C3

InChI

InChI=1S/C22H23N3O/c1-16-8-9-17(2)20(14-16)25-22(26)21(19-6-4-3-5-7-19)24-15-18-10-12-23-13-11-18/h3-14,21,24H,15H2,1-2H3,(H,25,26)/p+1/t21-/m0/s1