[(1S)-2-(3-bromanylphenoxy)-1-(3,4-dimethylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(3-bromanylphenoxy)-1-(3,4-dimethylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(3-bromophenoxy)-1-(3,4-dimethylphenyl)ethyl]ammonium CAS Name: [(1S)-2-(3-bromophenoxy)-1-(3,4-dimethylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(3-bromophenoxy)-1-(3,4-dimethylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(3-bromophenoxy)-1-(3,4-dimethylphenyl)ethyl]ammonium Formula: C16H19BrNO+ MolecularWeight: 321.23216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(COC2=CC(=CC=C2)Br)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](COC2=CC(=CC=C2)Br)[NH3+])C

InChI

InChI=1S/C16H18BrNO/c1-11-6-7-13(8-12(11)2)16(18)10-19-15-5-3-4-14(17)9-15/h3-9,16H,10,18H2,1-2H3/p+1/t16-/m1/s1