3-methyl-7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-methyl-7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H21N5OS+2 MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H19N5OS/c1-13-12-24-17-19-14(10-16(23)22(13)17)11-20-6-8-21(9-7-20)15-4-2-3-5-18-15/h2-5,10,12H,6-9,11H2,1H3/p+2