[(3R,4S)-6-ethanoyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]azanium

Systemtic Name: [(3R,4S)-6-ethanoyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]azanium Openeye Name: [(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]ammonium CAS Name: [(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]azanium Traditional Name: [(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]ammonium Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(C2[NH3+])O)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2[NH3+])O)(C)C

InChI

InChI=1S/C13H17NO3/c1-7(15)8-4-5-10-9(6-8)11(14)12(16)13(2,3)17-10/h4-6,11-12,16H,14H2,1-3H3/p+1/t11-,12+/m0/s1