[(1S)-2-azaniumyl-1-(5-bromanyl-2-ethoxy-phenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-ethoxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-ethoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-ethoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-ethoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-ethoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C15H27BrN2O+2 MolecularWeight: 331.29168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=C(C=CC(=C1)Br)OCC

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=C(C=CC(=C1)Br)OCC

InChI

InChI=1S/C15H25BrN2O/c1-4-6-9-18(3)14(11-17)13-10-12(16)7-8-15(13)19-5-2/h7-8,10,14H,4-6,9,11,17H2,1-3H3/p+2/t14-/m1/s1