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

Systemtic Name: [(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(2-thienylmethyl)ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-(2-thenyl)ammonium Formula: C13H14NO2S+ MolecularWeight: 248.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)O)[NH2+]CC3=CC=CS3

Isomeric SMILES

C1[C@H](C2=C(O1)C=C(C=C2)O)[NH2+]CC3=CC=CS3

InChI

InChI=1S/C13H13NO2S/c15-9-3-4-11-12(8-16-13(11)6-9)14-7-10-2-1-5-17-10/h1-6,12,14-15H,7-8H2/p+1/t12-/m1/s1