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

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-oxidanyl-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-hydroxy-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-hydroxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-hydroxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-hydroxy-phenyl)ethyl]-butyl-ethyl-ammonium Formula: C14H25BrN2O+2 MolecularWeight: 317.2651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23BrN2O/c1-3-5-8-17(4-2)13(10-16)12-9-11(15)6-7-14(12)18/h6-7,9,13,18H,3-5,8,10,16H2,1-2H3/p+2/t13-/m1/s1