2-chloranyl-N1-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-5-nitro-benzene-1,4-diamine bromide

Systemtic Name: 2-chloranyl-N1-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-5-nitro-benzene-1,4-diamine bromide Openeye Name: 2-chloro-N1-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-5-nitro-benzene-1,4-diamine bromide CAS Name: 2-chloro-N1-[2-(2-methyl-1-pyrazol-2-iumyl)ethyl]-5-nitrobenzene-1,4-diamine bromide IUPAC Name: 2-chloro-1-N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-5-nitrobenzene-1,4-diamine bromide Traditional Name: (4-amino-2-chloro-5-nitro-phenyl)-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]amine bromide Formula: C12H15BrClN5O2 MolecularWeight: 376.6368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN1CCNC2=CC(=C(C=C2Cl)N)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CC=CN1CCNC2=CC(=C(C=C2Cl)N)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H15ClN5O2.BrH/c1-16-4-2-5-17(16)6-3-15-11-8-12(18(19)20)10(14)7-9(11)13;/h2,4-5,7-8,15H,3,6,14H2,1H3;1H/q+1;/p-1