(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2R)-1-mesyl-2-methyl-indoline-5-carboxylic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=C(C=C4)C

Isomeric SMILES

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C21H21N3O5S/c1-13-6-7-23-19(8-13)22-17(11-20(23)25)12-29-21(26)15-4-5-18-16(10-15)9-14(2)24(18)30(3,27)28/h4-8,10-11,14H,9,12H2,1-3H3/p+1/t14-/m1/s1