[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O/c1-16(2)21(3,15-22)24-19(25)14-23-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20,23H,14H2,1-3H3,(H,24,25)/p+1/t21-/m0/s1