1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-piperonyl-ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H25N3O5/c25-20(23-21(26)22-11-17-6-3-9-27-17)13-24(16-4-1-2-5-16)12-15-7-8-18-19(10-15)29-14-28-18/h3,6-10,16H,1-2,4-5,11-14H2,(H2,22,23,25,26)/p+1