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

Systemtic Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-3-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/c1-26-10-12-27(13-11-26)21-9-8-20(24-25-21)16-4-2-6-18(14-16)23-22(29)17-5-3-7-19(15-17)28(30)31/h2-9,14-15H,10-13H2,1H3,(H,23,29)/p+1