3-[(2-chloranyl-4-nitro-phenyl)amino]propyl-[(5-iodanyl-3-methyl-2-oxidanyl-phenyl)methylidene]azanium

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)amino]propyl-[(5-iodanyl-3-methyl-2-oxidanyl-phenyl)methylidene]azanium Openeye Name: 3-(2-chloro-4-nitro-anilino)propyl-[(2-hydroxy-5-iodo-3-methyl-phenyl)methylene]ammonium CAS Name: 3-(2-chloro-4-nitroanilino)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methylidene]ammonium IUPAC Name: 3-(2-chloro-4-nitroanilino)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methylidene]azanium Traditional Name: 3-(2-chloro-4-nitro-anilino)propyl-(2-hydroxy-5-iodo-3-methyl-benzylidene)ammonium Formula: C17H18ClIN3O3+ MolecularWeight: 474.70059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)I)C=[NH+]CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

CC1=C(C(=CC(=C1)I)C=[NH+]CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C17H17ClIN3O3/c1-11-7-13(19)8-12(17(11)23)10-20-5-2-6-21-16-4-3-14(22(24)25)9-15(16)18/h3-4,7-10,21,23H,2,5-6H2,1H3/p+1