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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2CCCO2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]C[C@H]2CCCO2

InChI

InChI=1S/C14H20BrNO2/c1-2-13(16-9-11-4-3-7-18-11)12-8-10(15)5-6-14(12)17/h5-6,8,11,13,16-17H,2-4,7,9H2,1H3/p+1/t11-,13+/m1/s1