[(1R)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: [(1R)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1-(5-bromobenzofuran-2-yl)ethyl]-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: [(1R)-1-(5-bromo-2-benzofuranyl)ethyl]-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl]-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1-(5-bromobenzofuran-2-yl)ethyl]-[(1S)-1,5-dimethylhexyl]ammonium Formula: C18H27BrNO+ MolecularWeight: 353.31708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrNO/c1-12(2)6-5-7-13(3)20-14(4)18-11-15-10-16(19)8-9-17(15)21-18/h8-14,20H,5-7H2,1-4H3/p+1/t13-,14+/m0/s1