3-(4-methylphenyl)-6-pyrrolidin-1-ylcarbonyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-(4-methylphenyl)-6-pyrrolidin-1-ylcarbonyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-(p-tolyl)-6-(pyrrolidine-1-carbonyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-(4-methylphenyl)-6-[oxo(1-pyrrolidinyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-(p-tolyl)-6-(pyrrolidine-1-carbonyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)N4CCCC4

InChI

InChI=1S/C18H17N3O2S/c1-12-4-6-13(7-5-12)15-11-24-18-19-10-14(17(23)21(15)18)16(22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3/p+1