7-methyl-N-(3-methylbutyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide

Systemtic Name: 7-methyl-N-(3-methylbutyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-isopentyl-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: 7-methyl-N-(3-methylbutyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: 7-methyl-N-(3-methylbutyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-isoamyl-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C12H18N3O3S2+ MolecularWeight: 316.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NCCC(C)C

InChI

InChI=1S/C12H17N3O3S2/c1-8(2)4-5-13-20(17,18)10-9(3)14-12-15(11(10)16)6-7-19-12/h6-8,13H,4-5H2,1-3H3/p+1