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

Systemtic Name: [(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(5-bromobenzofuran-2-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-benzofuranyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-1-benzofuran-2-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(5-bromobenzofuran-2-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C17H25BrN2O+2 MolecularWeight: 353.2972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CCC[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CCC[NH+]3CCCC3

InChI

InChI=1S/C17H23BrN2O/c1-13(19-7-4-10-20-8-2-3-9-20)17-12-14-11-15(18)5-6-16(14)21-17/h5-6,11-13,19H,2-4,7-10H2,1H3/p+2/t13-/m0/s1