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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: ethyl-(3-fluoro-4-methoxy-benzyl)-[2-keto-2-(piperonylamino)ethyl]ammonium Formula: C20H24FN2O4+ MolecularWeight: 375.413963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4/c1-3-23(11-15-5-6-17(25-2)16(21)8-15)12-20(24)22-10-14-4-7-18-19(9-14)27-13-26-18/h4-9H,3,10-13H2,1-2H3,(H,22,24)/p+1