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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

InChI

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