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

Systemtic Name: 1-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-cinnamylpiperazin-4-ium-1-yl)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-cinnamylpiperazin-4-ium-1-yl)-3-propyl-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:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5/c1-2-9-23-20-27(33-26-14-7-6-13-25(26)30-28(33)24(23)21-29)32-18-16-31(17-19-32)15-8-12-22-10-4-3-5-11-22/h3-8,10-14,20H,2,9,15-19H2,1H3/p+2