[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-p-anisyl-ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20BrNO2/c1-3-16(15-10-13(18)6-9-17(15)20)19-11-12-4-7-14(21-2)8-5-12/h4-10,16,19-20H,3,11H2,1-2H3/p+1/t16-/m0/s1