1,3-benzodioxol-5-ylmethyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-piperonyl-ammonium Formula: C16H16NO4+ MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1[C@@H](C2=C(O1)C=C(C=C2)O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H15NO4/c18-11-2-3-12-13(8-19-15(12)6-11)17-7-10-1-4-14-16(5-10)21-9-20-14/h1-6,13,17-18H,7-9H2/p+1/t13-/m0/s1