2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C21H25ClN7O2+ MolecularWeight: 442.9219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCNCC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCNCC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C21H24ClN7O2/c1-31-17-4-2-15(3-5-17)13-29(9-7-24-12-16(29)10-19(23)30)20-11-18(22)26-21(27-20)28-8-6-25-14-28/h2-6,8,11,14,16,24H,7,9-10,12-13H2,1H3,(H-,23,30)/p+1