1,3-benzodioxol-5-ylmethyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]-piperonyl-ammonium Formula: C22H20FN2O3+ MolecularWeight: 379.404203

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+][C@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O3/c23-17-7-9-18(10-8-17)25-22(26)21(16-4-2-1-3-5-16)24-13-15-6-11-19-20(12-15)28-14-27-19/h1-12,21,24H,13-14H2,(H,25,26)/p+1/t21-/m1/s1