[(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(diphenylmethyl)azanium

Systemtic Name: [(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: benzhydryl-[(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)[NH2+]C(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)[NH2+]C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O/c1-16(2)22(4,15-23)25-21(26)17(3)24-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20,24H,1-4H3,(H,25,26)/p+1/t17-,22+/m0/s1