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

Systemtic Name: 7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H20N4OS+2 MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4OS/c22-16-12-14(18-17-21(16)10-11-23-17)13-19-6-8-20(9-7-19)15-4-2-1-3-5-15/h1-5,10-12H,6-9,13H2/p+2