1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Traditional Name: [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl]-methyl-piperonyl-ammonium Formula: C21H27N2O6+ MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H26N2O6/c1-23(11-14-5-6-16-17(7-14)29-13-28-16)12-20(24)22-10-15-8-18(25-2)21(27-4)19(9-15)26-3/h5-9H,10-13H2,1-4H3,(H,22,24)/p+1