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

Systemtic Name: ethyl 3-[1-(benzotriazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[1-(benzotriazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[1-(1-benzotriazolyl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(benzotriazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[1-(benzotriazol-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C24H21N6O2+ MolecularWeight: 425.46254

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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)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H20N6O2/c1-3-32-22(31)13-12-16-15(2)17(14-25)23-26-18-8-4-6-10-20(18)29(23)24(16)30-21-11-7-5-9-19(21)27-28-30/h4-11H,3,12-13H2,1-2H3/p+1