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

Systemtic Name: 3-[2-azanyl-7-oxidanylidene-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethylazanium Traditional Name: 3-(2-amino-3-besyl-7-keto-6H-pyrrolo[2,3-d]pyridazin-1-yl)propyl-dimethyl-ammonium Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S/c1-21(2)9-6-10-22-14-13(11-19-20-17(14)23)15(16(22)18)26(24,25)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,18H2,1-2H3,(H,20,23)/p+1