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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](C)CCOC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CCOC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O2/c1-14(2)17(3,13-18)19-16(21)12-20(4)10-11-22-15-8-6-5-7-9-15/h5-9,14H,10-12H2,1-4H3,(H,19,21)/p+1/t17-/m0/s1