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

Systemtic Name: 7-methyloctyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(7-methyloctyl)ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(7-methyloctyl)ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(7-methyloctyl)azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-(7-methyloctyl)ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-13(2)7-5-3-4-6-10-18-16-12-20-17-11-14(19)8-9-15(16)17/h8-9,11,13,16,18-19H,3-7,10,12H2,1-2H3/p+1/t16-/m0/s1