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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-ethanoyl-1-(2-phenylcyclopropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2-phenylcyclopropyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(2-phenylcyclopropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenylcyclopropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2-phenylcyclopropyl)piperazin-1-ium-2-yl]acetamide Formula: C24H27ClN7O2+ MolecularWeight: 480.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC2C3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC2C3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C24H26ClN7O2/c1-16(33)30-9-10-32(18(14-30)11-22(26)34,20-12-19(20)17-5-3-2-4-6-17)23-13-21(25)28-24(29-23)31-8-7-27-15-31/h2-8,13,15,18-20H,9-12,14H2,1H3,(H-,26,34)/p+1