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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C21H23ClFN2O3+ MolecularWeight: 405.870323

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN2O3/c22-17-10-15(23)6-7-18(17)24-21(26)12-25(16-3-1-2-4-16)11-14-5-8-19-20(9-14)28-13-27-19/h5-10,16H,1-4,11-13H2,(H,24,26)/p+1