1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium bromide

Systemtic Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium bromide Openeye Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium bromide IUPAC Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium bromide Formula: C18H12BrN5O8 MolecularWeight: 506.22058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H12N5O8.BrH/c24-20(25)12-4-6-14(16(10-12)22(28)29)18(19-8-2-1-3-9-19)15-7-5-13(21(26)27)11-17(15)23(30)31;/h1-11,18H;1H/q+1;/p-1