5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(phenylsulfonyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(phenylsulfonyl)ethyl]pyridazin-3-one Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[2-(benzenesulfonyl)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-(2-besylethyl)-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3S/c1-20-8-5-9-21(11-10-20)16-14-18(23)22(19-15-16)12-13-26(24,25)17-6-3-2-4-7-17/h2-4,6-7,14-15H,5,8-13H2,1H3/p+1