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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-fluoroanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C17H18FN2O3+ MolecularWeight: 317.334823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN2O3/c1-20(9-12-2-7-15-16(8-12)23-11-22-15)10-17(21)19-14-5-3-13(18)4-6-14/h2-8H,9-11H2,1H3,(H,19,21)/p+1