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

Systemtic Name: 1-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethoxy]ethyl]azepan-1-ium Openeye Name: 1-[2-[2-(4-bromo-2-chloro-phenoxy)ethoxy]ethyl]azepan-1-ium CAS Name: 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]azepan-1-ium IUPAC Name: 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]azepan-1-ium Traditional Name: 1-[2-[2-(4-bromo-2-chloro-phenoxy)ethoxy]ethyl]azepan-1-ium Formula: C16H24BrClNO2+ MolecularWeight: 377.72426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOCCOC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCOCCOC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H23BrClNO2/c17-14-5-6-16(15(18)13-14)21-12-11-20-10-9-19-7-3-1-2-4-8-19/h5-6,13H,1-4,7-12H2/p+1