1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C15H21N2O3+ MolecularWeight: 277.33884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N2O3/c1-10(15(18)16-12-4-5-12)17(2)8-11-3-6-13-14(7-11)20-9-19-13/h3,6-7,10,12H,4-5,8-9H2,1-2H3,(H,16,18)/p+1/t10-/m1/s1