(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-phenylthiophene-2-carboxylate

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-phenylthiophene-2-carboxylate Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-phenylthiophene-2-carboxylate CAS Name: 5-phenyl-2-thiophenecarboxylic acid (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-phenylthiophene-2-carboxylate Traditional Name: 5-phenylthiophene-2-carboxylic acid (4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H17N2O3S+ MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c1-14-6-5-9-19-22-16(12-20(24)23(14)19)13-26-21(25)18-11-10-17(27-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3/p+1