2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one Formula: C24H27N4O5S+ MolecularWeight: 483.55998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C=CC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C=CC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N4O5S/c29-24-9-7-21(19-4-2-1-3-5-19)25-28(24)15-12-26-10-13-27(14-11-26)34(30,31)20-6-8-22-23(18-20)33-17-16-32-22/h1-9,18H,10-17H2/p+1