[(S)-(2-methyl-5-nitro-phenyl)-(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(S)-(2-methyl-5-nitro-phenyl)-(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(S)-(4-isopropylphenyl)-(2-methyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(S)-(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(S)-(2-methyl-5-nitro-phenyl)-p-cumenyl-methyl]ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2/c1-11(2)13-5-7-14(8-6-13)17(18)16-10-15(19(20)21)9-4-12(16)3/h4-11,17H,18H2,1-3H3/p+1/t17-/m0/s1