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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)OC

InChI

InChI=1S/C22H26N2O6/c1-5-28-18-7-6-15(8-19(18)27-4)11-24(3)12-22(26)23-17-10-21-20(29-13-30-21)9-16(17)14(2)25/h6-10H,5,11-13H2,1-4H3,(H,23,26)/p+1