1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(prop-2-enyl)azanium

Systemtic Name: 1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(prop-2-enyl)azanium Openeye Name: allyl(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)ammonium CAS Name: 1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(prop-2-enyl)ammonium IUPAC Name: 1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(prop-2-enyl)azanium Traditional Name: allyl(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)ammonium Formula: C13H18NO2+ MolecularWeight: 220.28752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CC1OCC2=CC=CC=C2CO1

Isomeric SMILES

C=CC[NH2+]CC1OCC2=CC=CC=C2CO1

InChI

InChI=1S/C13H17NO2/c1-2-7-14-8-13-15-9-11-5-3-4-6-12(11)10-16-13/h2-6,13-14H,1,7-10H2/p+1