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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butyl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutyl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-10(2)8-12(15)11-4-5-13-14(9-11)17-7-3-6-16-13/h4-5,9-10,12H,3,6-8,15H2,1-2H3/p+1/t12-/m0/s1