7-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]thiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-5-thiazolo[3,2-a]pyrimidinone IUPAC Name: 7-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]thiazolo[3,2-a]pyrimidin-5-one Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=O)N3C=CSC3=N2

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=O)N3C=CSC3=N2

InChI

InChI=1S/C17H20N3OS/c1-3-13(4-2)14-5-7-19(8-6-14)12-15-11-16(21)20-9-10-22-17(20)18-15/h5-11,13H,3-4,12H2,1-2H3/q+1