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

Systemtic Name: 7-[(4-butanoylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-butanoylpiperazin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[4-(1-oxobutyl)-1-piperazin-1-iumyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-butanoylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(4-butyrylpiperazin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H22N4O2S+2 MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC[NH+](CC1)CC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CCCC(=O)N1CC[NH+](CC1)CC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C15H20N4O2S/c1-2-3-13(20)18-6-4-17(5-7-18)11-12-10-14(21)19-8-9-22-15(19)16-12/h8-10H,2-7,11H2,1H3/p+2