[(2S)-1-[(2-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium

Systemtic Name: [(2S)-1-[(2-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium Openeye Name: [(1S)-2-(2-amino-4-chloro-anilino)-1-methyl-2-oxo-ethyl]-bis(cyanomethyl)ammonium CAS Name: [(2S)-1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)ammonium IUPAC Name: [(2S)-1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)azanium Traditional Name: [(1S)-2-(2-amino-4-chloro-anilino)-2-keto-1-methyl-ethyl]-bis(cyanomethyl)ammonium Formula: C13H15ClN5O+ MolecularWeight: 292.7441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN5O/c1-9(19(6-4-15)7-5-16)13(20)18-12-3-2-10(14)8-11(12)17/h2-3,8-9H,6-7,17H2,1H3,(H,18,20)/p+1/t9-/m0/s1