N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzamide

Systemtic Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzamide CAS Name: N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-2-nitrobenzamide Traditional Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzamide Formula: C22H23N6O3+ MolecularWeight: 419.45642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c1-26-11-13-27(14-12-26)21-10-9-19(24-25-21)16-5-4-6-17(15-16)23-22(29)18-7-2-3-8-20(18)28(30)31/h2-10,15H,11-14H2,1H3,(H,23,29)/p+1