2-(3,4-dimethoxyphenyl)ethyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C22H27N2O6+ MolecularWeight: 415.45958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC)OCO2

InChI

InChI=1S/C22H26N2O6/c1-14(25)16-10-20-21(30-13-29-20)11-17(16)23-22(26)12-24(2)8-7-15-5-6-18(27-3)19(9-15)28-4/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,23,26)/p+1