2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[(3-chloro-4-methoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(3-chloro-4-methoxy-benzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C23H27ClN7O3+ MolecularWeight: 484.95858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)Cl)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)Cl)C3=NC(=NC=C3)N4C=CN=C4

InChI

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