[(2R)-2-(5-bromanyl-7-ethyl-1-benzofuran-2-yl)-2-oxidanyl-ethyl]-tert-butyl-azanium

Systemtic Name: [(2R)-2-(5-bromanyl-7-ethyl-1-benzofuran-2-yl)-2-oxidanyl-ethyl]-tert-butyl-azanium Openeye Name: [(2R)-2-(5-bromo-7-ethyl-benzofuran-2-yl)-2-hydroxy-ethyl]-tert-butyl-ammonium CAS Name: [(2R)-2-(5-bromo-7-ethyl-2-benzofuranyl)-2-hydroxyethyl]-tert-butylammonium IUPAC Name: [(2R)-2-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-hydroxyethyl]-tert-butylazanium Traditional Name: [(2R)-2-(5-bromo-7-ethyl-benzofuran-2-yl)-2-hydroxy-ethyl]-tert-butyl-ammonium Formula: C16H23BrNO2+ MolecularWeight: 341.26332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C=C(O2)C(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C=C(O2)[C@@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C16H22BrNO2/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(19)9-18-16(2,3)4/h6-8,13,18-19H,5,9H2,1-4H3/p+1/t13-/m1/s1