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

Systemtic Name: 2-ethyl-3-methyl-1-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-cinnamylpiperazin-4-ium-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-ethyl-3-methyl-1-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-ethyl-3-methyl-1-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-cinnamylpiperazin-4-ium-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C28H31N5+2 MolecularWeight: 437.57924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5/c1-3-23-21(2)24(20-29)27-30-25-13-7-8-14-26(25)33(27)28(23)32-18-16-31(17-19-32)15-9-12-22-10-5-4-6-11-22/h4-14H,3,15-19H2,1-2H3/p+2