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

Systemtic Name: [(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-oxo-3-pyrrolidin-1-yl-propyl)ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-oxo-3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(3-oxo-3-pyrrolidin-1-ylpropyl)azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-(3-keto-3-pyrrolidino-propyl)ammonium Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C1CCN(C1)C(=O)CC[NH2+][C@@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C15H20N2O3/c18-11-3-4-12-13(10-20-14(12)9-11)16-6-5-15(19)17-7-1-2-8-17/h3-4,9,13,16,18H,1-2,5-8,10H2/p+1/t13-/m1/s1