4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-(4-tosylpiperazino)pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C20H27N4O5S2+ MolecularWeight: 467.58218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H26N4O5S2/c1-17-2-4-18(5-3-17)30(25,26)23-10-8-22(9-11-23)20-7-6-19(16-21-20)31(27,28)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3/p+1