[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-[2-(2-thienyl)ethyl]ammonium Formula: C22H25N2OS+ MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCC3=CC=CS3)C

InChI

InChI=1S/C22H24N2OS/c1-16-13-17(2)15-19(14-16)24-22(25)21(18-7-4-3-5-8-18)23-11-10-20-9-6-12-26-20/h3-9,12-15,21,23H,10-11H2,1-2H3,(H,24,25)/p+1/t21-/m0/s1