[(4S)-4-(2-cyanoethoxy)-4-phenyl-pent-2-ynyl]-diethyl-azanium

Systemtic Name: [(4S)-4-(2-cyanoethoxy)-4-phenyl-pent-2-ynyl]-diethyl-azanium Openeye Name: [(4S)-4-(2-cyanoethoxy)-4-phenyl-pent-2-ynyl]-diethyl-ammonium CAS Name: [(4S)-4-(2-cyanoethoxy)-4-phenylpent-2-ynyl]-diethylammonium IUPAC Name: [(4S)-4-(2-cyanoethoxy)-4-phenylpent-2-ynyl]-diethylazanium Traditional Name: [(4S)-4-(2-cyanoethoxy)-4-phenyl-pent-2-ynyl]-diethyl-ammonium Formula: C18H25N2O+ MolecularWeight: 285.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)CC#C[C@](C)(C1=CC=CC=C1)OCCC#N

InChI

InChI=1S/C18H24N2O/c1-4-20(5-2)15-9-13-18(3,21-16-10-14-19)17-11-7-6-8-12-17/h6-8,11-12H,4-5,10,15-16H2,1-3H3/p+1/t18-/m1/s1