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

Systemtic Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-pentyl]ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-3-5-11(2)15(16)12-6-7-13-14(10-12)18-9-4-8-17-13/h6-7,10-11,15H,3-5,8-9,16H2,1-2H3/p+1/t11-,15-/m0/s1