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

Systemtic Name: ethyl (4S)-2-methyl-4-thiophen-2-yl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Openeye Name: ethyl (4S)-2-methyl-4-(2-thienyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate CAS Name: (4S)-2-methyl-4-thiophen-2-yl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-methyl-4-thiophen-2-yl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Traditional Name: (4S)-2-methyl-4-(2-thienyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid ethyl ester Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=[N+](C1C3=CC=CS3)C4=CC=CC=C4N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=[N+]([C@@H]1C3=CC=CS3)C4=CC=CC=C4N2)C

InChI

InChI=1S/C18H17N3O2S/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20,22)/p+1/t16-/m1/s1