2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(2-morpholino-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-[2-(4-morpholinyl)-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]propanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4-keto-2-morpholino-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propionitrile Formula: C22H19N6O2+ MolecularWeight: 399.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=CC=CC=[N+]3C(=O)C2=CC(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1COCCN1C2=NC3=CC=CC=[N+]3C(=O)C2=CC(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C22H18N6O2/c23-14-15(20-24-17-5-1-2-6-18(17)25-20)13-16-21(27-9-11-30-12-10-27)26-19-7-3-4-8-28(19)22(16)29/h1-8,13H,9-12H2,(H,24,25)/p+1