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

Systemtic Name: ethyl 3-[4-cyano-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate CAS Name: 3-[4-cyano-3-methyl-1-(4-methyl-1-piperazin-4-iumyl)-2-pyrido[1,2-a]benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate Traditional Name: 3-[4-cyano-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propionic acid ethyl ester Formula: C23H28N5O2+ MolecularWeight: 406.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5O2/c1-4-30-21(29)10-9-17-16(2)18(15-24)22-25-19-7-5-6-8-20(19)28(22)23(17)27-13-11-26(3)12-14-27/h5-8H,4,9-14H2,1-3H3/p+1