2-[4-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(2-methyl-5-methylsulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(2-methyl-5-methylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(5-mesyl-2-methyl-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C19H27N3O5S/c1-15-3-4-16(28(2,25)26)13-17(15)19(24)22-7-5-20(6-8-22)14-18(23)21-9-11-27-12-10-21/h3-4,13H,5-12,14H2,1-2H3/p+1