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

Systemtic Name: 2-ethyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-ethyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-ethyl-3-methyl-1-(4-phenethyl-1-piperazin-4-iumyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-ethyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-ethyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H31N5+2 MolecularWeight: 425.56854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5/c1-3-22-20(2)23(19-28)26-29-24-11-7-8-12-25(24)32(26)27(22)31-17-15-30(16-18-31)14-13-21-9-5-4-6-10-21/h4-12H,3,13-18H2,1-2H3/p+2