[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl]-(2,2-difluoro-1,3-benzodioxol-5-yl)ammonium CAS Name: (2,2-difluoro-1,3-benzodioxol-5-yl)-[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]-(2,2-difluoro-1,3-benzodioxol-5-yl)azanium Traditional Name: [(1S)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl]-(2,2-difluoro-1,3-benzodioxol-5-yl)ammonium Formula: C18H19F2N2O3+ MolecularWeight: 349.351866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH2+]C2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)[NH2+]C2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C18H18F2N2O3/c1-12(17(23)22(2)11-13-6-4-3-5-7-13)21-14-8-9-15-16(10-14)25-18(19,20)24-15/h3-10,12,21H,11H2,1-2H3/p+1/t12-/m0/s1