[(2S)-4-(3-bromanylphenoxy)-2-(dimethylamino)butyl]azanium

Systemtic Name: [(2S)-4-(3-bromanylphenoxy)-2-(dimethylamino)butyl]azanium Openeye Name: [(2S)-4-(3-bromophenoxy)-2-(dimethylamino)butyl]ammonium CAS Name: [(2S)-4-(3-bromophenoxy)-2-(dimethylamino)butyl]ammonium IUPAC Name: [(2S)-4-(3-bromophenoxy)-2-(dimethylamino)butyl]azanium Traditional Name: [(2S)-4-(3-bromophenoxy)-2-(dimethylamino)butyl]ammonium Formula: C12H20BrN2O+ MolecularWeight: 288.204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CCOC1=CC(=CC=C1)Br)C[NH3+]

Isomeric SMILES

CN(C)[C@@H](CCOC1=CC(=CC=C1)Br)C[NH3+]

InChI

InChI=1S/C12H19BrN2O/c1-15(2)11(9-14)6-7-16-12-5-3-4-10(13)8-12/h3-5,8,11H,6-7,9,14H2,1-2H3/p+1/t11-/m0/s1