2-cyanoethyl-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C14H17N4O+ MolecularWeight: 257.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CCC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CCC#N

InChI

InChI=1S/C14H16N4O/c1-11(18(2)8-4-7-15)14(19)17-13-6-3-5-12(9-13)10-16/h3,5-6,9,11H,4,8H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1