1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(4-fluoro-2-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(4-fluoro-2-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C21H23FN3O5+ MolecularWeight: 416.422823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5/c22-15-6-7-17(18(10-15)25(27)28)23-21(26)12-24(16-3-1-2-4-16)11-14-5-8-19-20(9-14)30-13-29-19/h5-10,16H,1-4,11-13H2,(H,23,26)/p+1