2-(2-methylpropanoylamino)ethyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-[2-(isobutyrylamino)ethyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]C1COC2=C1C=CC(=C2)O

Isomeric SMILES

CC(C)C(=O)NCC[NH2+][C@H]1COC2=C1C=CC(=C2)O

InChI

InChI=1S/C14H20N2O3/c1-9(2)14(18)16-6-5-15-12-8-19-13-7-10(17)3-4-11(12)13/h3-4,7,9,12,15,17H,5-6,8H2,1-2H3,(H,16,18)/p+1/t12-/m0/s1