[(S)-(4-bromanyl-2-fluoranyl-phenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]azanium

Systemtic Name: [(S)-(4-bromanyl-2-fluoranyl-phenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(4-bromo-2-fluoro-phenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(4-bromo-2-fluorophenyl)-(3,4-dimethyl-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(4-bromo-2-fluorophenyl)-(3,4-dimethyl-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(4-bromo-2-fluoro-phenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]ammonium Formula: C15H15BrFN2O2+ MolecularWeight: 354.194203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=C(C=C(C=C2)Br)F)[NH3+])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@@H](C2=C(C=C(C=C2)Br)F)[NH3+])[N+](=O)[O-])C

InChI

InChI=1S/C15H14BrFN2O2/c1-8-5-10(6-14(9(8)2)19(20)21)15(18)12-4-3-11(16)7-13(12)17/h3-7,15H,18H2,1-2H3/p+1/t15-/m0/s1