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

Systemtic Name: 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]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 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]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H26N5+ MolecularWeight: 408.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC=CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H25N5/c1-20-18-25(31-24-12-6-5-11-23(24)28-26(31)22(20)19-27)30-16-14-29(15-17-30)13-7-10-21-8-3-2-4-9-21/h2-12,18H,13-17H2,1H3/p+1/b10-7+