2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H30N5+ MolecularWeight: 436.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C/C=C/C5=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+1/b12-9+