1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H28N7+ MolecularWeight: 426.53672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCN(CC4)C5=NC(=CC(=N5)C)C

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCN(CC4)C5=NC(=CC(=N5)C)C

InChI

InChI=1S/C25H27N7/c1-5-19-18(4)20(15-26)23-29-21-8-6-7-9-22(21)32(23)24(19)30-10-12-31(13-11-30)25-27-16(2)14-17(3)28-25/h6-9,14H,5,10-13H2,1-4H3/p+1