2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C22H26N6O/c1-3-8-24-20(29)15-26-9-11-27(12-10-26)21-13-16(2)17(14-23)22-25-18-6-4-5-7-19(18)28(21)22/h4-7,13H,3,8-12,15H2,1-2H3,(H,24,29)/p+1