[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylbutan-2-yloxy)ethyl]azanium

Systemtic Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylbutan-2-yloxy)ethyl]azanium Openeye Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1,1-dimethylpropoxy)ethyl]ammonium CAS Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylbutan-2-yloxy)ethyl]ammonium IUPAC Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylbutan-2-yloxy)ethyl]azanium Traditional Name: [(1R)-2-tert-amyloxy-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium Formula: C16H26NO3+ MolecularWeight: 280.38254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OCC(C1=CC2=C(C=C1)OCCCO2)[NH3+]

Isomeric SMILES

CCC(C)(C)OC[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH3+]

InChI

InChI=1S/C16H25NO3/c1-4-16(2,3)20-11-13(17)12-6-7-14-15(10-12)19-9-5-8-18-14/h6-7,10,13H,4-5,8-9,11,17H2,1-3H3/p+1/t13-/m0/s1