[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C1CC[NH+](CC1)CCC[NH2+][C@@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H24N2O2/c19-13-5-6-14-15(12-20-16(14)11-13)17-7-4-10-18-8-2-1-3-9-18/h5-6,11,15,17,19H,1-4,7-10,12H2/p+2/t15-/m1/s1