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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(3-methylphenyl)methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(m-tolylmethyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(3-methylphenyl)methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-methylbenzyl)ammonium Formula: C17H21BrNO+ MolecularWeight: 335.25874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO/c1-3-16(15-10-14(18)7-8-17(15)20)19-11-13-6-4-5-12(2)9-13/h4-10,16,19-20H,3,11H2,1-2H3/p+1/t16-/m0/s1