1-[2-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethoxy]ethyl]azepan-1-ium

Systemtic Name: 1-[2-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethoxy]ethyl]azepan-1-ium Openeye Name: 1-[2-[2-(2-allyl-4-chloro-phenoxy)ethoxy]ethyl]azepan-1-ium CAS Name: 1-[2-[2-(4-chloro-2-prop-2-enylphenoxy)ethoxy]ethyl]azepan-1-ium IUPAC Name: 1-[2-[2-(4-chloro-2-prop-2-enylphenoxy)ethoxy]ethyl]azepan-1-ium Traditional Name: 1-[2-[2-(2-allyl-4-chloro-phenoxy)ethoxy]ethyl]azepan-1-ium Formula: C19H29ClNO2+ MolecularWeight: 338.89206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)Cl)OCCOCC[NH+]2CCCCCC2

Isomeric SMILES

C=CCC1=C(C=CC(=C1)Cl)OCCOCC[NH+]2CCCCCC2

InChI

InChI=1S/C19H28ClNO2/c1-2-7-17-16-18(20)8-9-19(17)23-15-14-22-13-12-21-10-5-3-4-6-11-21/h2,8-9,16H,1,3-7,10-15H2/p+1