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

Systemtic Name: [(1R,2S)-2-methylcyclohexyl]-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1R,2S)-2-methylcyclohexyl]ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1R,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(1R,2S)-2-methylcyclohexyl]azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-[(1R,2S)-2-methylcyclohexyl]ammonium Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-10-4-2-3-5-13(10)16-14-9-18-15-8-11(17)6-7-12(14)15/h6-8,10,13-14,16-17H,2-5,9H2,1H3/p+1/t10-,13+,14+/m0/s1