2-(4-bromophenyl)sulfanylethyl-[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium

Systemtic Name: 2-(4-bromophenyl)sulfanylethyl-[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: 2-(4-bromophenyl)sulfanylethyl-[(2S)-2-hydroxy-3-phenoxy-propyl]ammonium CAS Name: 2-[(4-bromophenyl)thio]ethyl-[(2S)-2-hydroxy-3-phenoxypropyl]ammonium IUPAC Name: 2-(4-bromophenyl)sulfanylethyl-[(2S)-2-hydroxy-3-phenoxypropyl]azanium Traditional Name: 2-[(4-bromophenyl)thio]ethyl-[(2S)-2-hydroxy-3-phenoxy-propyl]ammonium Formula: C17H21BrNO2S+ MolecularWeight: 383.32314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]CCSC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](C[NH2+]CCSC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C17H20BrNO2S/c18-14-6-8-17(9-7-14)22-11-10-19-12-15(20)13-21-16-4-2-1-3-5-16/h1-9,15,19-20H,10-13H2/p+1/t15-/m0/s1