1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(2-bromo-4-chloro-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(2-bromo-4-chlorophenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(2-bromo-4-chlorophenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(2-bromo-4-chloro-phenoxy)ethyl]azepan-1-ium Formula: C14H20BrClNO+ MolecularWeight: 333.6717

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C14H19BrClNO/c15-13-11-12(16)5-6-14(13)18-10-9-17-7-3-1-2-4-8-17/h5-6,11H,1-4,7-10H2/p+1