dimethyl-[3-[[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azaniumyl]propyl]azanium Openeye Name: 3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3R)-6-hydroxycoumaran-3-yl]ammonio]propyl-dimethyl-ammonium Formula: C13H22N2O2+2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C1COC2=C1C=CC(=C2)O

Isomeric SMILES

C[NH+](C)CCC[NH2+][C@H]1COC2=C1C=CC(=C2)O

InChI

InChI=1S/C13H20N2O2/c1-15(2)7-3-6-14-12-9-17-13-8-10(16)4-5-11(12)13/h4-5,8,12,14,16H,3,6-7,9H2,1-2H3/p+2/t12-/m0/s1