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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-propargyl-ammonium Formula: C14H18NO2+ MolecularWeight: 232.29822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC#C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC#C

InChI

InChI=1S/C14H17NO2/c1-3-7-15-11(2)12-5-6-13-14(10-12)17-9-4-8-16-13/h1,5-6,10-11,15H,4,7-9H2,2H3/p+1/t11-/m0/s1