[(1S,2S)-1-cyano-4-oxidanylidene-1,2,4-triphenyl-butyl]-dimethyl-azanium

Systemtic Name: [(1S,2S)-1-cyano-4-oxidanylidene-1,2,4-triphenyl-butyl]-dimethyl-azanium Openeye Name: [(1S,2S)-1-cyano-4-oxo-1,2,4-triphenyl-butyl]-dimethyl-ammonium CAS Name: [(1S,2S)-1-cyano-4-oxo-1,2,4-triphenylbutyl]-dimethylammonium IUPAC Name: [(1S,2S)-1-cyano-4-oxo-1,2,4-triphenylbutyl]-dimethylazanium Traditional Name: [(1S,2S)-1-cyano-4-keto-1,2,4-triphenyl-butyl]-dimethyl-ammonium Formula: C25H25N2O+ MolecularWeight: 369.4788

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C#N)(C1=CC=CC=C1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@](C#N)(C1=CC=CC=C1)[C@@H](CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O/c1-27(2)25(19-26,22-16-10-5-11-17-22)23(20-12-6-3-7-13-20)18-24(28)21-14-8-4-9-15-21/h3-17,23H,18H2,1-2H3/p+1/t23-,25+/m0/s1