[(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(5-bromobenzofuran-2-yl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(5-bromo-2-benzofuranyl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(5-bromo-1-benzofuran-2-yl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(5-bromobenzofuran-2-yl)ethyl]-propargyl-ammonium Formula: C13H13BrNO+ MolecularWeight: 279.15242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO/c1-3-6-15-9(2)13-8-10-7-11(14)4-5-12(10)16-13/h1,4-5,7-9,15H,6H2,2H3/p+1/t9-/m0/s1