2-[(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(coumaran-5-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C16H24N2O2/c1-17-6-7-18(12-15(17)4-8-19)11-13-2-3-16-14(10-13)5-9-20-16/h2-3,10,15,19H,4-9,11-12H2,1H3/p+1/t15-/m0/s1