1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-2-22-14-16-23(17-15-22)13-8-18-24-21-12-7-6-11-20(21)19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3/p+2