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

Systemtic Name: 3-[2-azanyl-3-(4-methylphenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-7-oxo-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-dimethylazanium Traditional Name: 3-(2-amino-7-keto-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-1-yl)propyl-dimethyl-ammonium Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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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)CCC[NH+](C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S/c1-12-5-7-13(8-6-12)27(25,26)16-14-11-20-21-18(24)15(14)23(17(16)19)10-4-9-22(2)3/h5-8,11H,4,9-10,19H2,1-3H3,(H,21,24)/p+1