[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(2-cyanoethylamino)-2-oxo-ethyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(2-cyanoethylamino)-2-oxoethyl]azanium Traditional Name: benzyl-[2-(2-cyanoethylamino)-2-keto-ethyl]ammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC(=O)NCCC#N

InChI

InChI=1S/C12H15N3O/c13-7-4-8-15-12(16)10-14-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2,(H,15,16)/p+1