(5-bromanylthiophen-2-yl)methyl-methyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methyl-ammonium Formula: C21H23BrNO2S+ MolecularWeight: 433.38182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22BrNO2S/c1-23(14-20-11-12-21(22)26-20)13-18(24)15-25-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-12,18,24H,13-15H2,1H3/p+1/t18-/m0/s1