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

Systemtic Name: [(S)-(3,4-dimethyl-5-nitro-phenyl)-(3-iodanylphenyl)methyl]azanium Openeye Name: [(S)-(3,4-dimethyl-5-nitro-phenyl)-(3-iodophenyl)methyl]ammonium CAS Name: [(S)-(3,4-dimethyl-5-nitrophenyl)-(3-iodophenyl)methyl]ammonium IUPAC Name: [(S)-(3,4-dimethyl-5-nitrophenyl)-(3-iodophenyl)methyl]azanium Traditional Name: [(S)-(3,4-dimethyl-5-nitro-phenyl)-(3-iodophenyl)methyl]ammonium Formula: C15H16IN2O2+ MolecularWeight: 383.20421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15IN2O2/c1-9-6-12(8-14(10(9)2)18(19)20)15(17)11-4-3-5-13(16)7-11/h3-8,15H,17H2,1-2H3/p+1/t15-/m1/s1