[(2S)-1-[2-cyanoethyl(phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-cyanoethyl(phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-cyanoethyl(phenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[N-(2-cyanoethyl)anilino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[N-(2-cyanoethyl)anilino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-cyanoethyl(phenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CCC#N)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C14H19N3O/c1-11(2)13(16)14(18)17(10-6-9-15)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,10,16H2,1-2H3/p+1/t13-/m0/s1