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

Systemtic Name: 7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-thiazolo[3,2-a]pyrimidinone IUPAC Name: 7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazolo[3,2-a]pyrimidin-5-one Formula: C16H19N5OS+2 MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)N3C=CSC3=N2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)N3C=CSC3=N2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C16H17N5OS/c22-15-11-13(18-16-21(15)9-10-23-16)12-19-5-7-20(8-6-19)14-3-1-2-4-17-14/h1-4,9-11H,5-8,12H2/p+2