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

Systemtic Name: [(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(3-phenylpropyl)azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-phenylpropyl)ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-phenylpropyl)ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(3-phenylpropyl)azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-(3-phenylpropyl)ammonium Formula: C17H20NO2+ MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)O)[NH2+]CCCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](C2=C(O1)C=C(C=C2)O)[NH2+]CCCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO2/c19-14-8-9-15-16(12-20-17(15)11-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18-19H,4,7,10,12H2/p+1/t16-/m1/s1