[(1S)-2-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)C)C#N

InChI

InChI=1S/C21H26N4O2/c1-14-17(15(2)24-21(27)18(14)12-22)10-11-20(26)23-13-19(25(3)4)16-8-6-5-7-9-16/h5-9,19H,10-11,13H2,1-4H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1