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

Systemtic Name: ethyl 3-[1-(benzimidazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[1-(benzimidazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[1-(1-benzimidazolyl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(benzimidazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[1-(benzimidazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C25H22N5O2+ MolecularWeight: 424.47448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4C=NC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H21N5O2/c1-3-32-23(31)13-12-17-16(2)18(14-26)24-28-20-9-5-7-11-22(20)30(24)25(17)29-15-27-19-8-4-6-10-21(19)29/h4-11,15H,3,12-13H2,1-2H3/p+1