ethyl (4S)-4-(2,3-dimethoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate

Systemtic Name: ethyl (4S)-4-(2,3-dimethoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Openeye Name: ethyl (4S)-4-(2,3-dimethoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate CAS Name: (4S)-4-(2,3-dimethoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2,3-dimethoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Traditional Name: (4S)-4-(2,3-dimethoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid ethyl ester Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=[N+](C1C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=[N+]([C@H]1C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4N2)C

InChI

InChI=1S/C22H23N3O4/c1-5-29-21(26)18-13(2)23-22-24-15-10-6-7-11-16(15)25(22)19(18)14-9-8-12-17(27-3)20(14)28-4/h6-12,19H,5H2,1-4H3,(H,23,24,26)/p+1/t19-/m0/s1