[(2S)-2-(4-bromophenyl)-2-oxidanyl-butyl]-ethyl-azanium

Systemtic Name: [(2S)-2-(4-bromophenyl)-2-oxidanyl-butyl]-ethyl-azanium Openeye Name: [(2S)-2-(4-bromophenyl)-2-hydroxy-butyl]-ethyl-ammonium CAS Name: [(2S)-2-(4-bromophenyl)-2-hydroxybutyl]-ethylammonium IUPAC Name: [(2S)-2-(4-bromophenyl)-2-hydroxybutyl]-ethylazanium Traditional Name: [(2S)-2-(4-bromophenyl)-2-hydroxy-butyl]-ethyl-ammonium Formula: C12H19BrNO+ MolecularWeight: 273.18936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO/c1-3-12(15,9-14-4-2)10-5-7-11(13)8-6-10/h5-8,14-15H,3-4,9H2,1-2H3/p+1/t12-/m1/s1