[4-[[[(2S)-2-cyano-3-ethoxy-3-oxidanylidene-propylidene]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[(2S)-2-cyano-3-ethoxy-3-oxidanylidene-propylidene]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[(2S)-2-cyano-3-ethoxy-3-oxo-propylidene]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(2S)-2-cyano-3-ethoxy-3-oxopropylidene]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[(2S)-2-cyano-3-ethoxy-3-oxopropylidene]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[(2S)-2-cyano-3-ethoxy-3-keto-propylidene]amino]methyl]benzyl]-dimethyl-ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC=C(C=C1)C[NH+](C)C)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=CC=C(C=C1)C[NH+](C)C)C#N

InChI

InChI=1S/C16H21N3O2/c1-4-21-16(20)15(9-17)11-18-10-13-5-7-14(8-6-13)12-19(2)3/h5-8,11,15H,4,10,12H2,1-3H3/p+1/t15-/m1/s1