1-[2-(4-phenylphenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(4-phenylphenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(4-phenylphenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(4-phenylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(4-phenylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(4-phenylphenoxy)ethyl]azepan-1-ium Formula: C20H26NO+ MolecularWeight: 296.42654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO/c1-2-7-15-21(14-6-1)16-17-22-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-17H2/p+1