[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+][C@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H24N2O2/c1-11(2)18-7-5-12(6-8-18)17-15-10-20-16-9-13(19)3-4-14(15)16/h3-4,9,11-12,15,17,19H,5-8,10H2,1-2H3/p+2/t15-/m0/s1