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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: piperonyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O6/c1-24-17-9-14(10-18(25-2)19(17)26-3)20(23)22-7-6-21-11-13-4-5-15-16(8-13)28-12-27-15/h4-5,8-10,21H,6-7,11-12H2,1-3H3,(H,22,23)/p+1