ethyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O3S/c1-2-27-19(25)13-11-21-20(26)23-15(13)12-24-10-6-5-8-16(24)18-22-14-7-3-4-9-17(14)28-18/h3-4,7,9,16H,2,5-6,8,10-12H2,1H3,(H2,21,23,26)/p+1/t16-/m1/s1