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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC=CC5=CC=CC=C5)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5)C#N

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+1/b12-8+