3-[2-azanyl-7-oxidanylidene-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-azanyl-7-oxidanylidene-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethyl-azanium Openeye Name: 3-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethyl-ammonium CAS Name: 3-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethylammonium IUPAC Name: 3-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethylazanium Traditional Name: 3-(2-amino-3-besyl-7-keto-6H-pyrrolo[2,3-d]pyridazin-1-yl)propyl-diethyl-ammonium Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3S/c1-3-23(4-2)11-8-12-24-16-15(13-21-22-19(16)25)17(18(24)20)28(26,27)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12,20H2,1-2H3,(H,22,25)/p+1