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

Systemtic Name: 3-methyl-7-[(4-propanoylphenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(4-propanoylphenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[4-(1-oxopropyl)phenoxy]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(4-propanoylphenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[(4-propionylphenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

InChI

InChI=1S/C17H16N2O3S/c1-3-15(20)12-4-6-14(7-5-12)22-9-13-8-16(21)19-11(2)10-23-17(19)18-13/h4-8,10H,3,9H2,1-2H3/p+1