1-(4-ethylpiperazin-4-ium-1-yl)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC)C#N

InChI

InChI=1S/C21H25N5/c1-3-7-16-14-20(25-12-10-24(4-2)11-13-25)26-19-9-6-5-8-18(19)23-21(26)17(16)15-22/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3/p+1