[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-methyl-veratryl-ammonium Formula: C20H24N3O6+ MolecularWeight: 402.42106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23N3O6/c1-23(10-13-4-6-15(26-2)17(8-13)27-3)11-19(24)22-20(25)21-14-5-7-16-18(9-14)29-12-28-16/h4-9H,10-12H2,1-3H3,(H2,21,22,24,25)/p+1