1-benzofuran-2-ylmethyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: benzofuran-2-ylmethyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: 2-benzofuranylmethyl-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: benzofuran-2-ylmethyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C16H24N2O+2 MolecularWeight: 260.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[NH2+]CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C16H22N2O/c1-2-18-9-5-7-14(18)11-17-12-15-10-13-6-3-4-8-16(13)19-15/h3-4,6,8,10,14,17H,2,5,7,9,11-12H2,1H3/p+2/t14-/m0/s1