[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-trimethyl-azanium tetrafluoroborate

Systemtic Name: [1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-trimethyl-azanium tetrafluoroborate Openeye Name: [1-acetamido-2-(benzylamino)-2-oxo-ethyl]-trimethyl-ammonium tetrafluoroborate CAS Name: [1-acetamido-2-oxo-2-[(phenylmethyl)amino]ethyl]-trimethylammonium tetrafluoroborate IUPAC Name: [1-acetamido-2-(benzylamino)-2-oxoethyl]-trimethylazanium tetrafluoroborate Traditional Name: [1-acetamido-2-(benzylamino)-2-keto-ethyl]-trimethyl-ammonium tetrafluoroborate Formula: C14H22BF4N3O2 MolecularWeight: 351.147993

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)NC(C(=O)NCC1=CC=CC=C1)[N+](C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)NC(C(=O)NCC1=CC=CC=C1)[N+](C)(C)C

InChI

InChI=1S/C14H21N3O2.BF4/c1-11(18)16-13(17(2,3)4)14(19)15-10-12-8-6-5-7-9-12;2-1(3,4)5/h5-9,13H,10H2,1-4H3,(H-,15,16,18,19);/q;-1/p+1