3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]-2-(3-methyl-1H-benzimidazol-2-ylidene)propionitrile Formula: C25H25N6O+ MolecularWeight: 425.5056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C=C3C(=NC4=CC=CC=[N+]4C3=O)N5CCCCCC5)C#N

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C(C=C3C(=NC4=CC=CC=[N+]4C3=O)N5CCCCCC5)C#N

InChI

InChI=1S/C25H24N6O/c1-29-21-11-5-4-10-20(21)27-23(29)18(17-26)16-19-24(30-13-7-2-3-8-14-30)28-22-12-6-9-15-31(22)25(19)32/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3/p+1