2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 1-morpholino-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-(4-tosylpiperazin-1-ium-1-yl)ethanone Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(22,23)20-8-6-18(7-9-20)14-17(21)19-10-12-24-13-11-19/h2-5H,6-14H2,1H3/p+1