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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]-piperonyl-ammonium Formula: C25H33N2O6+ MolecularWeight: 457.53932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)OC)OC

InChI

InChI=1S/C25H32N2O6/c1-29-21-12-23(31-3)22(30-2)11-18(21)13-26-25(28)15-27(19-6-4-5-7-19)14-17-8-9-20-24(10-17)33-16-32-20/h8-12,19H,4-7,13-16H2,1-3H3,(H,26,28)/p+1