2-azaniumylethyl-[4-(4-bromanyl-2-chloranyl-phenoxy)butyl]azanium

Systemtic Name: 2-azaniumylethyl-[4-(4-bromanyl-2-chloranyl-phenoxy)butyl]azanium Openeye Name: 2-azaniumylethyl-[4-(4-bromo-2-chloro-phenoxy)butyl]ammonium CAS Name: 2-ammonioethyl-[4-(4-bromo-2-chlorophenoxy)butyl]ammonium IUPAC Name: 2-azaniumylethyl-[4-(4-bromo-2-chlorophenoxy)butyl]azanium Traditional Name: 2-ammonioethyl-[4-(4-bromo-2-chloro-phenoxy)butyl]ammonium Formula: C12H20BrClN2O+2 MolecularWeight: 323.657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)OCCCC[NH2+]CC[NH3+]

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)OCCCC[NH2+]CC[NH3+]

InChI

InChI=1S/C12H18BrClN2O/c13-10-3-4-12(11(14)9-10)17-8-2-1-6-16-7-5-15/h3-4,9,16H,1-2,5-8,15H2/p+2