1-[4-(4-bromanyl-2-chloranyl-phenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-[4-(4-bromanyl-2-chloranyl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(4-bromo-2-chloro-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(4-bromo-2-chlorophenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(4-bromo-2-chlorophenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(4-bromo-2-chloro-phenoxy)butyl]piperazine-1,4-diium Formula: C14H22BrClN2O+2 MolecularWeight: 349.69428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCCCOC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCCCOC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H20BrClN2O/c15-12-3-4-14(13(16)11-12)19-10-2-1-7-18-8-5-17-6-9-18/h3-4,11,17H,1-2,5-10H2/p+2