2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[2-(2-methoxyphenyl)ethyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C22H28N7O2+ MolecularWeight: 422.50342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[N+]2(CCNCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=CC=C1CC[N+]2(CCNCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H27N7O2/c1-31-19-5-3-2-4-17(19)7-12-29(13-10-24-15-18(29)14-20(23)30)21-6-8-26-22(27-21)28-11-9-25-16-28/h2-6,8-9,11,16,18,24H,7,10,12-15H2,1H3,(H-,23,30)/p+1