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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[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]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-methyl-veratryl-ammonium Formula: C21H25N2O6+ MolecularWeight: 401.433

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC(=C(C=C3)OC)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC(=C(C=C3)OC)OC)OCO2

InChI

InChI=1S/C21H24N2O6/c1-13(24)15-8-19-20(29-12-28-19)9-16(15)22-21(25)11-23(2)10-14-5-6-17(26-3)18(7-14)27-4/h5-9H,10-12H2,1-4H3,(H,22,25)/p+1