[(2S)-1-[(3-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium

Systemtic Name: [(2S)-1-[(3-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium Openeye Name: [(1S)-2-(3-aminoanilino)-1-methyl-2-oxo-ethyl]-bis(cyanomethyl)ammonium CAS Name: [(2S)-1-(3-aminoanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)ammonium IUPAC Name: [(2S)-1-(3-aminoanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)azanium Traditional Name: [(1S)-2-(3-aminoanilino)-2-keto-1-methyl-ethyl]-bis(cyanomethyl)ammonium Formula: C13H16N5O+ MolecularWeight: 258.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O/c1-10(18(7-5-14)8-6-15)13(19)17-12-4-2-3-11(16)9-12/h2-4,9-10H,7-8,16H2,1H3,(H,17,19)/p+1/t10-/m0/s1