[(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(1S)-1-(5-bromobenzofuran-2-yl)ethyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-benzofuranyl)ethyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-1-benzofuran-2-yl)ethyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(1S)-1-(5-bromobenzofuran-2-yl)ethyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C16H19BrN3O+ MolecularWeight: 349.24556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C[C@@H](C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C16H18BrN3O/c1-12(19-5-2-7-20-8-6-18-11-20)16-10-13-9-14(17)3-4-15(13)21-16/h3-4,6,8-12,19H,2,5,7H2,1H3/p+1/t12-/m0/s1