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

Systemtic Name: 2-[2-azanyl-3-(4-methylphenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-7-oxo-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-dimethylazanium Traditional Name: 2-(2-amino-7-keto-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-1-yl)ethyl-dimethyl-ammonium Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC[NH+](C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC[NH+](C)C)N

InChI

InChI=1S/C17H21N5O3S/c1-11-4-6-12(7-5-11)26(24,25)15-13-10-19-20-17(23)14(13)22(16(15)18)9-8-21(2)3/h4-7,10H,8-9,18H2,1-3H3,(H,20,23)/p+1