1-[3-(2-bromanyl-4-chloranyl-phenoxy)propyl]azepan-1-ium

Systemtic Name: 1-[3-(2-bromanyl-4-chloranyl-phenoxy)propyl]azepan-1-ium Openeye Name: 1-[3-(2-bromo-4-chloro-phenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(2-bromo-4-chlorophenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(2-bromo-4-chlorophenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(2-bromo-4-chloro-phenoxy)propyl]azepan-1-ium Formula: C15H22BrClNO+ MolecularWeight: 347.69828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrClNO/c16-14-12-13(17)6-7-15(14)19-11-5-10-18-8-3-1-2-4-9-18/h6-7,12H,1-5,8-11H2/p+1