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

Systemtic Name: 2-[2-azanyl-7-oxidanylidene-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]ethyl-diethylazanium Traditional Name: 2-(2-amino-3-besyl-7-keto-6H-pyrrolo[2,3-d]pyridazin-1-yl)ethyl-diethyl-ammonium Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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