[(2S)-2-(3-bromanyl-4-oxidanyl-phenyl)-2-[methyl(phenyl)amino]ethyl]azanium

Systemtic Name: [(2S)-2-(3-bromanyl-4-oxidanyl-phenyl)-2-[methyl(phenyl)amino]ethyl]azanium Openeye Name: [(2S)-2-(3-bromo-4-hydroxy-phenyl)-2-(N-methylanilino)ethyl]ammonium CAS Name: [(2S)-2-(3-bromo-4-hydroxyphenyl)-2-(N-methylanilino)ethyl]ammonium IUPAC Name: [(2S)-2-(3-bromo-4-hydroxyphenyl)-2-(N-methylanilino)ethyl]azanium Traditional Name: [(2S)-2-(3-bromo-4-hydroxy-phenyl)-2-(N-methylanilino)ethyl]ammonium Formula: C15H18BrN2O+ MolecularWeight: 322.22022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(C[NH3+])C2=CC(=C(C=C2)O)Br

Isomeric SMILES

CN(C1=CC=CC=C1)[C@H](C[NH3+])C2=CC(=C(C=C2)O)Br

InChI

InChI=1S/C15H17BrN2O/c1-18(12-5-3-2-4-6-12)14(10-17)11-7-8-15(19)13(16)9-11/h2-9,14,19H,10,17H2,1H3/p+1/t14-/m1/s1