[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-prop-2-ynylazanium Traditional Name: [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-propargyl-ammonium Formula: C19H21N2O+ MolecularWeight: 293.38284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O/c1-4-12-20-18(16-8-6-5-7-9-16)19(22)21-17-13-14(2)10-11-15(17)3/h1,5-11,13,18,20H,12H2,2-3H3,(H,21,22)/p+1/t18-/m0/s1