2-[4-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide

Systemtic Name: 2-[4-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide Openeye Name: 2-[4-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]thiazinane 1,1-dioxide CAS Name: 2-[4-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]thiazinane 1,1-dioxide IUPAC Name: 2-[4-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]thiazinane 1,1-dioxide Traditional Name: 2-[4-methyl-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]thiazinane 1,1-dioxide Formula: C20H27N4O4S2+ MolecularWeight: 451.58278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H26N4O4S2/c1-17-7-8-18(24-10-4-5-15-29(24,25)26)16-19(17)30(27,28)23-13-11-22(12-14-23)20-6-2-3-9-21-20/h2-3,6-9,16H,4-5,10-15H2,1H3/p+1