[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C19H22FN2O4+ MolecularWeight: 361.387383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21FN2O4/c1-22(10-14-4-5-16(24-2)15(20)7-14)11-19(23)21-9-13-3-6-17-18(8-13)26-12-25-17/h3-8H,9-12H2,1-2H3,(H,21,23)/p+1