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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-cyclopropyl-4-ethanoyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-cyclopropyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-cyclopropyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-cyclopropylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-cyclopropyl-piperazin-1-ium-2-yl]acetamide Formula: C18H23ClN7O2+ MolecularWeight: 404.87392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C18H22ClN7O2/c1-12(27)24-6-7-26(13-2-3-13,14(10-24)8-16(20)28)17-9-15(19)22-18(23-17)25-5-4-21-11-25/h4-5,9,11,13-14H,2-3,6-8,10H2,1H3,(H-,20,28)/p+1