2-[4-(5-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethanoyl-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethanoyl-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-acetyl-4-(5-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-acetyl-4-[5-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-acetyl-4-(5-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-acetyl-4-(5-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C23H27ClN7O3+ MolecularWeight: 484.95858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC=C2Cl)N3C=CN=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC=C2Cl)N3C=CN=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26ClN7O3/c1-16(32)31(14-17-3-5-19(34-2)6-4-17)10-9-29(13-18(31)11-21(25)33)22-20(24)12-27-23(28-22)30-8-7-26-15-30/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H-,25,33)/p+1