3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 3-[4-(4-methoxyphenyl)piperazino]sulfonyl-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C22H23N4O4S2+ MolecularWeight: 471.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C22H22N4O4S2/c1-15-20(21(27)26-18-5-3-4-6-19(18)31-22(26)23-15)32(28,29)25-13-11-24(12-14-25)16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3/p+1