2-cyanoethyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium

Systemtic Name: 2-cyanoethyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: 2-cyanoethyl-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-(2-cyanoethyl)-methylazanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC(=O)NCC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCC#N)CC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H17N3O/c1-16(9-5-8-14)11-13(17)15-10-12-6-3-2-4-7-12/h2-4,6-7H,5,9-11H2,1H3,(H,15,17)/p+1