[(2S)-1-[[(2R)-2-cyano-3-ethoxy-3-oxidanylidene-propylidene]amino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[(2R)-2-cyano-3-ethoxy-3-oxidanylidene-propylidene]amino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[(2R)-2-cyano-3-ethoxy-3-oxo-propylidene]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(2R)-2-cyano-3-ethoxy-3-oxopropylidene]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[(2R)-2-cyano-3-ethoxy-3-oxopropylidene]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[(2R)-2-cyano-3-ethoxy-3-keto-propylidene]amino]ethyl]-dimethyl-ammonium Formula: C17H24N3O2+ MolecularWeight: 302.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(CC1=CC=CC=C1)[NH+](C)C)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NC[C@H](CC1=CC=CC=C1)[NH+](C)C)C#N

InChI

InChI=1S/C17H23N3O2/c1-4-22-17(21)15(11-18)12-19-13-16(20(2)3)10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10,13H2,1-3H3/p+1/t15-,16-/m0/s1