(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(hydroxymethyl)-2-methyl-3-furancarboxylic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-methylol-furan-3-carboxylic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H14ClN2O5+ MolecularWeight: 349.74576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CO)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C=C(O1)CO)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C16H13ClN2O5/c1-9-13(5-12(7-20)24-9)16(22)23-8-11-4-15(21)19-6-10(17)2-3-14(19)18-11/h2-6,20H,7-8H2,1H3/p+1