3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-6-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]pyridazine IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazino]pyridazine Formula: C20H28N7O4S+ MolecularWeight: 462.54582

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O4S/c1-2-23-8-10-24(11-9-23)19-6-7-20(22-21-19)25-12-14-26(15-13-25)32(30,31)18-5-3-4-17(16-18)27(28)29/h3-7,16H,2,8-15H2,1H3/p+1