1,3-benzodioxol-5-ylmethyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-ethylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-ethylazanium Traditional Name: [2-(2,5-dimethoxyanilino)-2-keto-ethyl]-ethyl-piperonyl-ammonium Formula: C20H25N2O5+ MolecularWeight: 373.4229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H24N2O5/c1-4-22(11-14-5-7-18-19(9-14)27-13-26-18)12-20(23)21-16-10-15(24-2)6-8-17(16)25-3/h5-10H,4,11-13H2,1-3H3,(H,21,23)/p+1