1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H26N5+ MolecularWeight: 408.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5/c1-19(2)18-29-12-14-30(15-13-29)25-16-21(20-8-4-3-5-9-20)22(17-27)26-28-23-10-6-7-11-24(23)31(25)26/h3-11,16H,1,12-15,18H2,2H3/p+1