[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-methylpropyl)azanium

Systemtic Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-methylpropyl)azanium Openeye Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-isobutyl-ammonium CAS Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-methylpropyl)ammonium IUPAC Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-methylpropyl)azanium Traditional Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-isobutyl-ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-11(2)10-16-12(3)13-5-6-14-15(9-13)18-8-4-7-17-14/h5-6,9,11-12,16H,4,7-8,10H2,1-3H3/p+1/t12-/m1/s1