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

Systemtic Name: 3-methylbutyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-isopentyl-ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-methylbutyl)ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(3-methylbutyl)azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-isoamyl-ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-9(2)5-6-14-12-8-16-13-7-10(15)3-4-11(12)13/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3/p+1/t12-/m0/s1