[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-methoxypropyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-methoxypropyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-methoxypropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-methoxypropyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-methoxypropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-methoxypropyl)ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO2/c1-3-12(15-7-4-8-17-2)11-9-10(14)5-6-13(11)16/h5-6,9,12,15-16H,3-4,7-8H2,1-2H3/p+1/t12-/m0/s1