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

Systemtic Name: 2-[2-azanyl-3-(4-chlorophenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-3-(4-chlorophenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(4-chlorophenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(4-chlorophenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-amino-3-(4-chlorophenyl)sulfonyl-7-keto-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-ammonium Formula: C16H19ClN5O3S+ MolecularWeight: 396.87176

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O3S/c1-21(2)7-8-22-13-12(9-19-20-16(13)23)14(15(22)18)26(24,25)11-5-3-10(17)4-6-11/h3-6,9H,7-8,18H2,1-2H3,(H,20,23)/p+1