[(4S)-4-(4-methoxyphenyl)-2-oxidanylidene-1,4-dihydropyrimido[1,2-a]benzimidazol-1-ium-3-ylidene]-phenylmethoxy-methanolate

Systemtic Name: [(4S)-4-(4-methoxyphenyl)-2-oxidanylidene-1,4-dihydropyrimido[1,2-a]benzimidazol-1-ium-3-ylidene]-phenylmethoxy-methanolate Openeye Name: benzyloxy-[(4S)-4-(4-methoxyphenyl)-2-oxo-1,4-dihydropyrimido[1,2-a]benzimidazol-1-ium-3-ylidene]methanolate CAS Name: [(4S)-4-(4-methoxyphenyl)-2-oxo-1,4-dihydropyrimido[1,2-a]benzimidazol-1-ium-3-ylidene]-phenylmethoxymethanolate IUPAC Name: [(4S)-4-(4-methoxyphenyl)-2-oxo-1,4-dihydropyrimido[1,2-a]benzimidazol-1-ium-3-ylidene]-phenylmethoxymethanolate Traditional Name: benzoxy-[(4S)-2-keto-4-(4-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-1-ium-3-ylidene]methanolate Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C([O-])OCC3=CC=CC=C3)C(=O)[NH2+]C4=NC5=CC=CC=C5N24

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=C([O-])OCC3=CC=CC=C3)C(=O)[NH2+]C4=NC5=CC=CC=C5N24

InChI

InChI=1S/C25H21N3O4/c1-31-18-13-11-17(12-14-18)22-21(24(30)32-15-16-7-3-2-4-8-16)23(29)27-25-26-19-9-5-6-10-20(19)28(22)25/h2-14,22,30H,15H2,1H3,(H,26,27,29)/t22-/m0/s1