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

Systemtic Name: ethyl 3-[4-cyano-3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazol-2-yl]propanoate Openeye Name: ethyl 3-[1-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-2-yl]propanoate CAS Name: 3-[4-cyano-3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-pyrido[1,2-a]benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate Traditional Name: 3-[1-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-2-yl]propionic acid ethyl ester Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c1-3-36-27(35)14-13-23-21(2)24(19-30)28-31-25-11-7-8-12-26(25)34(28)29(23)33-17-15-32(16-18-33)20-22-9-5-4-6-10-22/h4-12H,3,13-18,20H2,1-2H3/p+1