N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-3H-phthalazine-1-carboxamide Formula: C22H26N5O4S+ MolecularWeight: 456.53794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N5O4S/c1-26-13-11-16(12-14-26)27(2)32(30,31)17-9-7-15(8-10-17)23-22(29)20-18-5-3-4-6-19(18)21(28)25-24-20/h3-10,16H,11-14H2,1-2H3,(H,23,29)(H,25,28)/p+1