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

Systemtic Name: 3-[2-azanyl-3-(4-chlorophenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(4-chlorophenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(4-chlorophenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(4-chlorophenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-(4-chlorophenyl)sulfonyl-7-keto-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-ammonium Formula: C17H21ClN5O3S+ MolecularWeight: 410.89834

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O3S/c1-22(2)8-3-9-23-14-13(10-20-21-17(14)24)15(16(23)19)27(25,26)12-6-4-11(18)5-7-12/h4-7,10H,3,8-9,19H2,1-2H3,(H,21,24)/p+1