2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-4-methyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-4-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-4-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-methoxyphenyl)methyl]-4-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-m-anisyl-4-methyl-piperazin-1-ium-2-yl]acetamide Formula: C22H27ClN7O2+ MolecularWeight: 456.94848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](C(C1)CC(=O)N)(CC2=CC(=CC=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CN1CC[N+](C(C1)CC(=O)N)(CC2=CC(=CC=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C22H26ClN7O2/c1-28-8-9-30(17(13-28)11-20(24)31,14-16-4-3-5-18(10-16)32-2)21-12-19(23)26-22(27-21)29-7-6-25-15-29/h3-7,10,12,15,17H,8-9,11,13-14H2,1-2H3,(H-,24,31)/p+1