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

Systemtic Name: [(S)-(3,4-dimethylphenyl)-(2-methyl-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(3,4-dimethylphenyl)-(2-methyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(3,4-dimethylphenyl)-(2-methyl-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(3,4-dimethylphenyl)-(2-methyl-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(3,4-dimethylphenyl)-(2-methyl-5-nitro-phenyl)methyl]ammonium Formula: C16H19N2O2+ MolecularWeight: 271.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-10-4-6-13(8-12(10)3)16(17)15-9-14(18(19)20)7-5-11(15)2/h4-9,16H,17H2,1-3H3/p+1/t16-/m0/s1