(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H15N4O3S+ MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C16H14N4O3S/c1-2-6-17-16-19-12(10-24-16)15(22)23-9-11-8-14(21)20-7-4-3-5-13(20)18-11/h2-5,7-8,10H,1,6,9H2,(H,17,19)/p+1