[(2S)-1-[3-(4-cyanophenyl)propanoylamino]-3-phenyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [(2S)-1-[3-(4-cyanophenyl)propanoylamino]-3-phenyl-propan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[3-(4-cyanophenyl)propanoylamino]ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[3-(4-cyanophenyl)-1-oxopropyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[3-(4-cyanophenyl)propanoylamino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-benzyl-2-[3-(4-cyanophenyl)propanoylamino]ethyl]-diethyl-ammonium Formula: C23H30N3O+ MolecularWeight: 364.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H29N3O/c1-3-26(4-2)22(16-20-8-6-5-7-9-20)18-25-23(27)15-14-19-10-12-21(17-24)13-11-19/h5-13,22H,3-4,14-16,18H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1