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

Systemtic Name: bis(cyanomethyl)-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-bis(cyanomethyl)ammonium CAS Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)ammonium IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)azanium Traditional Name: [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-bis(cyanomethyl)ammonium Formula: C14H14N5O+ MolecularWeight: 268.29386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O/c1-11(19(7-5-15)8-6-16)14(20)18-13-4-2-3-12(9-13)10-17/h2-4,9,11H,7-8H2,1H3,(H,18,20)/p+1/t11-/m0/s1