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

Systemtic Name: 7-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H21N3O2S+2 MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=CC(=O)[N+]3=C(N2)SC=C3C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1O)CC2=CC(=O)[N+]3=C(N2)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O2S/c22-15-6-8-20(9-7-15)11-14-10-17(23)21-16(12-24-18(21)19-14)13-4-2-1-3-5-13/h1-5,10,12,15,22H,6-9,11H2/p+2