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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C14H18N3O5S2+ MolecularWeight: 372.43982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C14H17N3O5S2/c1-24(20,21)16-4-2-10(3-5-16)13(19)22-9-11-8-12(18)17-6-7-23-14(17)15-11/h6-8,10H,2-5,9H2,1H3/p+1