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

Systemtic Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-ethyl-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H27ClN5+ MolecularWeight: 444.97908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC=C5Cl

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H26ClN5/c1-3-20-18(2)21(16-28)25-29-23-10-6-7-11-24(23)32(25)26(20)31-14-12-30(13-15-31)17-19-8-4-5-9-22(19)27/h4-11H,3,12-15,17H2,1-2H3/p+1