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

Systemtic Name: 2-[2-azanyl-7-oxidanylidene-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethylazanium Traditional Name: 2-(2-amino-3-besyl-7-keto-6H-pyrrolo[2,3-d]pyridazin-1-yl)ethyl-dimethyl-ammonium Formula: C16H20N5O3S+ MolecularWeight: 362.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3S/c1-20(2)8-9-21-13-12(10-18-19-16(13)22)14(15(21)17)25(23,24)11-6-4-3-5-7-11/h3-7,10H,8-9,17H2,1-2H3,(H,19,22)/p+1