2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H22FN2O3+ MolecularWeight: 345.387983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21FN2O3/c1-13(19(23)21-16-6-4-15(20)5-7-16)22(2)12-14-3-8-17-18(11-14)25-10-9-24-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1