[(R)-1,3-benzodioxol-5-yl(cyano)methyl]-cycloheptyl-azanium

Systemtic Name: [(R)-1,3-benzodioxol-5-yl(cyano)methyl]-cycloheptyl-azanium Openeye Name: [(R)-1,3-benzodioxol-5-yl(cyano)methyl]-cycloheptyl-ammonium CAS Name: [(R)-1,3-benzodioxol-5-yl(cyano)methyl]-cycloheptylammonium IUPAC Name: [(R)-1,3-benzodioxol-5-yl(cyano)methyl]-cycloheptylazanium Traditional Name: [(R)-1,3-benzodioxol-5-yl(cyano)methyl]-cycloheptyl-ammonium Formula: C16H21N2O2+ MolecularWeight: 273.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCC(CC1)[NH2+][C@@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O2/c17-10-14(18-13-5-3-1-2-4-6-13)12-7-8-15-16(9-12)20-11-19-15/h7-9,13-14,18H,1-6,11H2/p+1/t14-/m0/s1