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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C)C#N

InChI

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