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

Systemtic Name: ethyl (4S)-2-methyl-4-phenyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Openeye Name: ethyl (4S)-2-methyl-4-phenyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate CAS Name: (4S)-2-methyl-4-phenyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-methyl-4-phenyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Traditional Name: (4S)-2-methyl-4-phenyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid ethyl ester Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2/c1-3-25-19(24)17-13(2)21-20-22-15-11-7-8-12-16(15)23(20)18(17)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,21,22,24)/p+1/t18-/m0/s1