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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2-methoxyphenyl)methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(2-methoxyphenyl)methyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-o-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=CC=C2OC

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=CC=C2OC

InChI

InChI=1S/C17H20BrNO2/c1-3-15(14-10-13(18)8-9-16(14)20)19-11-12-6-4-5-7-17(12)21-2/h4-10,15,19-20H,3,11H2,1-2H3/p+1/t15-/m0/s1