2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethanoyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethanoyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(indan-5-ylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(indan-5-ylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C25H29ClN7O2+ MolecularWeight: 494.99646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC3=C(CCC3)C=C2)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC3=C(CCC3)C=C2)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H28ClN7O2/c1-17(34)31-9-10-33(21(14-31)12-23(27)35,15-18-5-6-19-3-2-4-20(19)11-18)24-13-22(26)29-25(30-24)32-8-7-28-16-32/h5-8,11,13,16,21H,2-4,9-10,12,14-15H2,1H3,(H-,27,35)/p+1