[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c1-12(2)16(4,11-17)19-15(20)10-18-13(3)14-8-6-5-7-9-14/h5-9,12-13,18H,10H2,1-4H3,(H,19,20)/p+1/t13-,16+/m1/s1