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

Systemtic Name: methyl 3-[4-cyano-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)OC)N4CC[NH+](CC4)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)OC)N4CC[NH+](CC4)C)C#N

InChI

InChI=1S/C22H25N5O2/c1-15-16(8-9-20(28)29-3)22(26-12-10-25(2)11-13-26)27-19-7-5-4-6-18(19)24-21(27)17(15)14-23/h4-7H,8-13H2,1-3H3/p+1