[(1S)-2-(2-cyanoethanoylamino)-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(2-cyanoethanoylamino)-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2-cyanoacetyl)amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[(2-cyano-1-oxoethyl)amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2-cyanoacetyl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(2-cyanoacetyl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O/c1-3-18(4-2)14(12-17-15(19)10-11-16)13-8-6-5-7-9-13/h5-9,14H,3-4,10,12H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1