7-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-methyl-6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-5-thiazolo[3,2-a]pyrimidinone IUPAC Name: 7-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-methyl-6-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-thiazolo[3,2-a]pyrimidin-5-one Formula: C16H18N5O3S2+ MolecularWeight: 392.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C16H17N5O3S2/c1-12-14(15(22)21-10-11-25-16(21)18-12)26(23,24)20-8-6-19(7-9-20)13-4-2-3-5-17-13/h2-5,10-11H,6-9H2,1H3/p+1