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

Systemtic Name: 7-[(3-phenylpyridin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(3-phenylpyridin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(3-phenyl-1-pyridin-1-iumyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(3-phenylpyridin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(3-phenylpyridin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H15N3OS+2 MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C18H14N3OS/c22-17-11-16(19-18-21(17)9-10-23-18)13-20-8-4-7-15(12-20)14-5-2-1-3-6-14/h1-12H,13H2/q+1/p+1