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

Systemtic Name: [(2S)-1-[(4-azanyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium Openeye Name: [(1S)-2-(4-amino-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-bis(cyanomethyl)ammonium CAS Name: [(2S)-1-(4-amino-2-methylanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)ammonium IUPAC Name: [(2S)-1-(4-amino-2-methylanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)azanium Traditional Name: [(1S)-2-(4-amino-2-methyl-anilino)-2-keto-1-methyl-ethyl]-bis(cyanomethyl)ammonium Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)C(C)[NH+](CC#N)CC#N

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)[C@H](C)[NH+](CC#N)CC#N

InChI

InChI=1S/C14H17N5O/c1-10-9-12(17)3-4-13(10)18-14(20)11(2)19(7-5-15)8-6-16/h3-4,9,11H,7-8,17H2,1-2H3,(H,18,20)/p+1/t11-/m0/s1