N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C21H31N6O4S+ MolecularWeight: 463.57364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=NNC(=O)CC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=NNC(=O)CC4

InChI

InChI=1S/C21H30N6O4S/c1-25-11-13-26(14-12-25)19-7-5-16(32(30,31)27-9-3-2-4-10-27)15-18(19)22-21(29)17-6-8-20(28)24-23-17/h5,7,15H,2-4,6,8-14H2,1H3,(H,22,29)(H,24,28)/p+1