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

Systemtic Name: 1-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]pyridazine-3-carboxamide Formula: C22H31N6O4S+ MolecularWeight: 475.58434

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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=NN(C(=O)C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4S/c1-25-12-14-27(15-13-25)20-8-6-17(33(31,32)28-10-4-3-5-11-28)16-19(20)23-22(30)18-7-9-21(29)26(2)24-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,23,30)/p+1