4-(4-bromanyl-2-chloranyl-phenoxy)butyl-(2-dimethylaminoethyl)azanium

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenoxy)butyl-(2-dimethylaminoethyl)azanium Openeye Name: 4-(4-bromo-2-chloro-phenoxy)butyl-(2-dimethylaminoethyl)ammonium CAS Name: 4-(4-bromo-2-chlorophenoxy)butyl-(2-dimethylaminoethyl)ammonium IUPAC Name: 4-(4-bromo-2-chlorophenoxy)butyl-(2-dimethylaminoethyl)azanium Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyl-(2-dimethylaminoethyl)ammonium Formula: C14H23BrClN2O+ MolecularWeight: 350.70222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]CCCCOC1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

CN(C)CC[NH2+]CCCCOC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C14H22BrClN2O/c1-18(2)9-8-17-7-3-4-10-19-14-6-5-12(15)11-13(14)16/h5-6,11,17H,3-4,7-10H2,1-2H3/p+1