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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO/c1-4-12(15-8-9(2)3)11-7-10(14)5-6-13(11)16/h5-7,9,12,15-16H,4,8H2,1-3H3/p+1/t12-/m0/s1