[(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2S)-2-ethylhexyl]azanium Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(2S)-2-ethylhexyl]ammonium CAS Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2S)-2-ethylhexyl]azanium Traditional Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(2S)-2-ethylhexyl]ammonium Formula: C17H29BrNO+ MolecularWeight: 343.32226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(CC)C1=C(C=CC(=C1)Br)O

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](CC)C1=C(C=CC(=C1)Br)O

InChI

InChI=1S/C17H28BrNO/c1-4-7-8-13(5-2)12-19-16(6-3)15-11-14(18)9-10-17(15)20/h9-11,13,16,19-20H,4-8,12H2,1-3H3/p+1/t13-,16+/m0/s1