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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)F

InChI

InChI=1S/C22H25FN2O3/c1-15-6-8-19(18(23)10-15)24-22(26)13-25(17-4-2-3-5-17)12-16-7-9-20-21(11-16)28-14-27-20/h6-11,17H,2-5,12-14H2,1H3,(H,24,26)/p+1