1-ethyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium CAS Name: 1-ethyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium Formula: C17H25N2O2+ MolecularWeight: 289.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC#CCOC2=CC=CC=C2OC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC#CCOC2=CC=CC=C2OC

InChI

InChI=1S/C17H24N2O2/c1-3-18-11-13-19(14-12-18)10-6-7-15-21-17-9-5-4-8-16(17)20-2/h4-5,8-9H,3,10-15H2,1-2H3/p+1