2-butyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 2-butyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-(4-phenethyl-1-piperazin-4-iumyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-butyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C29H35N5+2 MolecularWeight: 453.6217

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H33N5/c1-3-4-12-24-22(2)25(21-30)28-31-26-13-8-9-14-27(26)34(28)29(24)33-19-17-32(18-20-33)16-15-23-10-6-5-7-11-23/h5-11,13-14H,3-4,12,15-20H2,1-2H3/p+2