1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C18H19ClFN2O3+ MolecularWeight: 365.806463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18ClFN2O3/c1-11(18(23)21-15-5-4-13(20)8-14(15)19)22(2)9-12-3-6-16-17(7-12)25-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)/p+1/t11-/m0/s1