(6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H17BrFN2O3+ MolecularWeight: 396.230883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1Br)OCO2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1Br)OCO2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C17H16BrFN2O3/c1-21(9-17(22)20-13-4-2-3-12(19)6-13)8-11-5-15-16(7-14(11)18)24-10-23-15/h2-7H,8-10H2,1H3,(H,20,22)/p+1