5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-3-ium-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-3-ium-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-3-ium-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazin-3-iumyl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-3-ium-1-yl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-3-ium-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Formula: C25H25N6O3S+ MolecularWeight: 489.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)NCCO

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)NCCO

InChI

InChI=1S/C25H24N6O3S/c1-16-10-11-17(14-22(16)35(33,34)27-12-13-32)24-18-6-2-3-7-19(18)25(31-30-24)26-15-23-28-20-8-4-5-9-21(20)29-23/h2-11,14,27,32H,12-13,15H2,1H3,(H,26,31)(H,28,29)/p+1