[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1-oxidanyl-pentan-2-yl]azanium

Systemtic Name: [(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1-oxidanyl-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-3-methyl-butyl]ammonium CAS Name: [(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-4-methylpentan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-3-methyl-butyl]ammonium Formula: C14H22NO3+ MolecularWeight: 252.32938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C1=CC2=C(C=C1)OCCO2)O)[NH3+]

Isomeric SMILES

CC(C)C[C@@H]([C@@H](C1=CC2=C(C=C1)OCCO2)O)[NH3+]

InChI

InChI=1S/C14H21NO3/c1-9(2)7-11(15)14(16)10-3-4-12-13(8-10)18-6-5-17-12/h3-4,8-9,11,14,16H,5-7,15H2,1-2H3/p+1/t11-,14+/m0/s1