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

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2S)-butan-2-yl]azanium Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2S)-butan-2-yl]ammonium IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2S)-butan-2-yl]azanium Traditional Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO/c1-4-9(3)15-12(5-2)11-8-10(14)6-7-13(11)16/h6-9,12,15-16H,4-5H2,1-3H3/p+1/t9-,12+/m0/s1