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

Systemtic Name: 1-[bis(2,4-dinitrophenyl)methyl]quinolin-1-ium bromide Openeye Name: 1-[bis(2,4-dinitrophenyl)methyl]quinolin-1-ium bromide CAS Name: 1-[bis(2,4-dinitrophenyl)methyl]quinolin-1-ium bromide IUPAC Name: 1-[bis(2,4-dinitrophenyl)methyl]quinolin-1-ium bromide Traditional Name: 1-[bis(2,4-dinitrophenyl)methyl]quinolin-1-ium bromide Formula: C22H14BrN5O8 MolecularWeight: 556.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H14N5O8.BrH/c28-24(29)15-7-9-17(20(12-15)26(32)33)22(23-11-3-5-14-4-1-2-6-19(14)23)18-10-8-16(25(30)31)13-21(18)27(34)35;/h1-13,22H;1H/q+1;/p-1