(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: (2R)-2,3-dihydro-1-benzothiophene-2-carboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: (2R)-2,3-dihydrobenzothiophene-2-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H17N2O3S+ MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3CC4=CC=CC=C4S3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)[C@H]3CC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N2O3S/c1-12-6-7-17-20-14(9-18(22)21(17)10-12)11-24-19(23)16-8-13-4-2-3-5-15(13)25-16/h2-7,9-10,16H,8,11H2,1H3/p+1/t16-/m1/s1