1-methyl-1,4-bis[(3-nitrophenyl)methyl]piperazin-1-ium bromide hydrobromide

Systemtic Name: 1-methyl-1,4-bis[(3-nitrophenyl)methyl]piperazin-1-ium bromide hydrobromide Openeye Name: 1-methyl-1,4-bis[(3-nitrophenyl)methyl]piperazin-1-ium bromide hydrobromide CAS Name: 1-methyl-1,4-bis[(3-nitrophenyl)methyl]piperazin-1-ium bromide hydrobromide IUPAC Name: 1-methyl-1,4-bis[(3-nitrophenyl)methyl]piperazin-1-ium bromide hydrobromide Traditional Name: 1-methyl-1,4-bis(3-nitrobenzyl)piperazin-1-ium bromide hydrobromide Formula: C19H24Br2N4O4 MolecularWeight: 532.22626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)[N+](=O)[O-].Br.[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)[N+](=O)[O-].Br.[Br-]

InChI

InChI=1S/C19H23N4O4.2BrH/c1-23(15-17-5-3-7-19(13-17)22(26)27)10-8-20(9-11-23)14-16-4-2-6-18(12-16)21(24)25;;/h2-7,12-13H,8-11,14-15H2,1H3;2*1H/q+1;;/p-1