[(2S)-4-cyano-3-oxidanylidene-1-phenyl-butan-2-yl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S)-4-cyano-3-oxidanylidene-1-phenyl-butan-2-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S)-1-benzyl-3-cyano-2-oxo-propyl]ammonium CAS Name: [(2S)-4-cyano-3-oxo-1-phenylbutan-2-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S)-4-cyano-3-oxo-1-phenylbutan-2-yl]azanium Traditional Name: dibenzyl-[(1S)-1-benzyl-3-cyano-2-keto-propyl]ammonium Formula: C25H25N2O+ MolecularWeight: 369.4788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CC#N)[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CC#N)[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O/c26-17-16-25(28)24(18-21-10-4-1-5-11-21)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24H,16,18-20H2/p+1/t24-/m0/s1