butyl-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-methyl-azanium

Systemtic Name: butyl-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-methyl-azanium Openeye Name: butyl-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-methyl-ammonium CAS Name: butyl-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-methylammonium IUPAC Name: butyl-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-methylazanium Traditional Name: butyl-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-methyl-ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1OCC2=CC=CC=C2CO1

Isomeric SMILES

CCCC[NH+](C)CC1OCC2=CC=CC=C2CO1

InChI

InChI=1S/C15H23NO2/c1-3-4-9-16(2)10-15-17-11-13-7-5-6-8-14(13)12-18-15/h5-8,15H,3-4,9-12H2,1-2H3/p+1