[(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC2=C(C=C1)OCCCO2)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH3+]

InChI

InChI=1S/C17H27NO2/c1-3-5-7-13(4-2)17(18)14-8-9-15-16(12-14)20-11-6-10-19-15/h8-9,12-13,17H,3-7,10-11,18H2,1-2H3/p+1/t13-,17-/m0/s1