[(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]C(C)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[NH2+][C@@H](C)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C17H23BrN2O/c1-3-20-8-4-5-15(20)11-19-12(2)17-10-13-9-14(18)6-7-16(13)21-17/h6-7,9-10,12,15,19H,3-5,8,11H2,1-2H3/p+2/t12-,15-/m0/s1