2-azanyl-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-[3-(4-morpholin-4-iumyl)propyl]-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H26N5O4S+ MolecularWeight: 432.51654

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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+]4CCOCC4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CCC[NH+]4CCOCC4)N

InChI

InChI=1S/C20H25N5O4S/c1-14-3-5-15(6-4-14)30(27,28)18-16-13-22-23-20(26)17(16)25(19(18)21)8-2-7-24-9-11-29-12-10-24/h3-6,13H,2,7-12,21H2,1H3,(H,23,26)/p+1