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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-2-4-11(14)10-5-6-12-13(9-10)16-8-3-7-15-12/h5-6,9,11H,2-4,7-8,14H2,1H3/p+1/t11-/m0/s1