[(1S)-2-(4-azaniumylbutanoylamino)-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(4-azaniumylbutanoylamino)-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(4-azaniumylbutanoylamino)-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[(4-ammonio-1-oxobutyl)amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-(4-azaniumylbutanoylamino)-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-(4-ammoniobutanoylamino)-1-phenyl-ethyl]-diethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CCC[NH3+])C1=CC=CC=C1

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CCC[NH3+])C1=CC=CC=C1

InChI

InChI=1S/C16H27N3O/c1-3-19(4-2)15(14-9-6-5-7-10-14)13-18-16(20)11-8-12-17/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3,(H,18,20)/p+2/t15-/m1/s1