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

Systemtic Name: [(2S)-1-[(2-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [(1S)-2-(2-aminoanilino)-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-(2-aminoanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-(2-aminoanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-(2-aminoanilino)-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H19N4O+ MolecularWeight: 247.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1N)[NH+](C)CCC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1N)[NH+](C)CCC#N

InChI

InChI=1S/C13H18N4O/c1-10(17(2)9-5-8-14)13(18)16-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,9,15H2,1-2H3,(H,16,18)/p+1/t10-/m0/s1