1-ethyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazin-1-ium Openeye Name: 1-[3-(4-benzylphenoxy)propyl]-4-ethyl-piperazin-4-ium CAS Name: 1-ethyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazin-1-ium IUPAC Name: 1-[3-(4-benzylphenoxy)propyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[3-(4-benzylphenoxy)propyl]-4-ethyl-piperazin-4-ium Formula: C22H31N2O+ MolecularWeight: 339.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-2-23-14-16-24(17-15-23)13-6-18-25-22-11-9-21(10-12-22)19-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3/p+1