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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]ammonium Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-2-10(13)9-4-5-11-12(8-9)15-7-3-6-14-11/h4-5,8,10H,2-3,6-7,13H2,1H3/p+1/t10-/m0/s1