1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine-1,4-diium Openeye Name: 1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]piperazine-1,4-diium CAS Name: 1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]piperazine-1,4-diium IUPAC Name: 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine-1,4-diium Traditional Name: 1-[[(2S)-coumaran-2-yl]methyl]piperazine-1,4-diium Formula: C13H20N2O+2 MolecularWeight: 220.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC2CC3=CC=CC=C3O2

Isomeric SMILES

C1C[NH+](CC[NH2+]1)C[C@@H]2CC3=CC=CC=C3O2

InChI

InChI=1S/C13H18N2O/c1-2-4-13-11(3-1)9-12(16-13)10-15-7-5-14-6-8-15/h1-4,12,14H,5-10H2/p+2/t12-/m0/s1