(2S)-2-[4-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C26H27N6O+ MolecularWeight: 439.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C(C5=CC=CC=C5)C(=O)N)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)[C@@H](C5=CC=CC=C5)C(=O)N)C#N

InChI

InChI=1S/C26H26N6O/c1-2-18-16-23(32-22-11-7-6-10-21(22)29-26(32)20(18)17-27)30-12-14-31(15-13-30)24(25(28)33)19-8-4-3-5-9-19/h3-11,16,24H,2,12-15H2,1H3,(H2,28,33)/p+1/t24-/m0/s1