2-[2-azanyl-3-(4-methylphenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-(4-methylphenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-7-oxo-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethylazanium Traditional Name: 2-(2-amino-7-keto-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-1-yl)ethyl-diethyl-ammonium Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H25N5O3S/c1-4-23(5-2)10-11-24-16-15(12-21-22-19(16)25)17(18(24)20)28(26,27)14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11,20H2,1-3H3,(H,22,25)/p+1