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

Systemtic Name: 1-[4-(4-bromanyl-2-chloranyl-phenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(4-bromo-2-chloro-phenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(4-bromo-2-chlorophenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(4-bromo-2-chlorophenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(4-bromo-2-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)Br)Cl

Isomeric SMILES

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

InChI

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