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

Systemtic Name: 1-[4-(2-bromanyl-4-chloranyl-phenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(2-bromo-4-chloro-phenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(2-bromo-4-chlorophenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(2-bromo-4-chlorophenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(2-bromo-4-chloro-phenoxy)butyl]azepan-1-ium Formula: C16H24BrClNO+ MolecularWeight: 361.72486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

C1CCC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C16H23BrClNO/c17-15-13-14(18)7-8-16(15)20-12-6-5-11-19-9-3-1-2-4-10-19/h7-8,13H,1-6,9-12H2/p+1