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

Systemtic Name: 1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butyl-pyridin-1-ium bromide Openeye Name: 1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butyl-pyridin-1-ium bromide CAS Name: 1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butylpyridin-1-ium bromide IUPAC Name: 1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butylpyridin-1-ium bromide Traditional Name: 1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butyl-pyridin-1-ium bromide Formula: C22H20BrN5O8 MolecularWeight: 562.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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

CC(C)(C)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/C22H20N5O8.BrH/c1-22(2,3)14-8-10-23(11-9-14)21(17-6-4-15(24(28)29)12-19(17)26(32)33)18-7-5-16(25(30)31)13-20(18)27(34)35;/h4-13,21H,1-3H3;1H/q+1;/p-1