[(1R)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[(2R)-2-ethylhexyl]azanium

Systemtic Name: [(1R)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[(2R)-2-ethylhexyl]azanium Openeye Name: [(1R)-1-(5-bromobenzofuran-2-yl)ethyl]-[(2R)-2-ethylhexyl]ammonium CAS Name: [(1R)-1-(5-bromo-2-benzofuranyl)ethyl]-[(2R)-2-ethylhexyl]ammonium IUPAC Name: [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl]-[(2R)-2-ethylhexyl]azanium Traditional Name: [(1R)-1-(5-bromobenzofuran-2-yl)ethyl]-[(2R)-2-ethylhexyl]ammonium Formula: C18H27BrNO+ MolecularWeight: 353.31708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(C)C1=CC2=C(O1)C=CC(=C2)Br

Isomeric SMILES

CCCC[C@@H](CC)C[NH2+][C@H](C)C1=CC2=C(O1)C=CC(=C2)Br

InChI

InChI=1S/C18H26BrNO/c1-4-6-7-14(5-2)12-20-13(3)18-11-15-10-16(19)8-9-17(15)21-18/h8-11,13-14,20H,4-7,12H2,1-3H3/p+1/t13-,14-/m1/s1