1-[3-[3,4-bis(chloranyl)phenoxy]propyl]azepan-1-ium

Systemtic Name: 1-[3-[3,4-bis(chloranyl)phenoxy]propyl]azepan-1-ium Openeye Name: 1-[3-(3,4-dichlorophenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(3,4-dichlorophenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(3,4-dichlorophenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(3,4-dichlorophenoxy)propyl]azepan-1-ium Formula: C15H22Cl2NO+ MolecularWeight: 303.24728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCOC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCOC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H21Cl2NO/c16-14-7-6-13(12-15(14)17)19-11-5-10-18-8-3-1-2-4-9-18/h6-7,12H,1-5,8-11H2/p+1