[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-cycloheptyl-azanium

Systemtic Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-cycloheptyl-azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-cycloheptyl-ammonium CAS Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-cycloheptylammonium IUPAC Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-cycloheptylazanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-cycloheptyl-ammonium Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)[NH2+]C3CCCCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)[NH2+]C3CCCCCC3

InChI

InChI=1S/C16H23NO2/c1-12(17-14-6-4-2-3-5-7-14)13-8-9-15-16(10-13)19-11-18-15/h8-10,12,14,17H,2-7,11H2,1H3/p+1/t12-/m0/s1