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

Systemtic Name: [(S)-(2-bromophenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(2-bromophenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(2-bromophenyl)-(3,4-dimethyl-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(2-bromophenyl)-(3,4-dimethyl-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(2-bromophenyl)-(3,4-dimethyl-5-nitro-phenyl)methyl]ammonium Formula: C15H16BrN2O2+ MolecularWeight: 336.20374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC=CC=C2Br)[NH3+])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@@H](C2=CC=CC=C2Br)[NH3+])[N+](=O)[O-])C

InChI

InChI=1S/C15H15BrN2O2/c1-9-7-11(8-14(10(9)2)18(19)20)15(17)12-5-3-4-6-13(12)16/h3-8,15H,17H2,1-2H3/p+1/t15-/m0/s1