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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C22H27ClN7O+ MolecularWeight: 440.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1)CC(=O)N)(CCCC2=CC=CC=C2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1C[N+](C(CN1)CC(=O)N)(CCCC2=CC=CC=C2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C22H26ClN7O/c23-19-14-21(28-22(27-19)29-10-8-26-16-29)30(11-4-7-17-5-2-1-3-6-17)12-9-25-15-18(30)13-20(24)31/h1-3,5-6,8,10,14,16,18,25H,4,7,9,11-13,15H2,(H-,24,31)/p+1