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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-fluoroanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-fluoroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-fluoroanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(3-fluoroanilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O3/c22-16-4-3-5-17(11-16)23-21(25)13-24(18-6-1-2-7-18)12-15-8-9-19-20(10-15)27-14-26-19/h3-5,8-11,18H,1-2,6-7,12-14H2,(H,23,25)/p+1