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

Systemtic Name: ethyl 3-[4-cyano-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate CAS Name: 3-[4-cyano-3-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-pyrido[1,2-a]benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazol-2-yl]propanoate Traditional Name: 3-[4-cyano-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)pyrido[1,2-a]benzimidazol-2-yl]propionic acid ethyl ester Formula: C27H29N6O2+ MolecularWeight: 469.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H28N6O2/c1-3-35-25(34)12-11-20-19(2)21(18-28)26-30-22-8-4-5-9-23(22)33(26)27(20)32-16-14-31(15-17-32)24-10-6-7-13-29-24/h4-10,13H,3,11-12,14-17H2,1-2H3/p+1