2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-3-ylcarbonyl-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-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(indan-5-ylmethyl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(indan-5-ylmethyl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C29H30ClN8O2+ MolecularWeight: 558.0539

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C29H29ClN8O2/c30-25-15-27(35-29(34-25)37-10-9-33-19-37)38(18-20-6-7-21-3-1-4-22(21)13-20)12-11-36(17-24(38)14-26(31)39)28(40)23-5-2-8-32-16-23/h2,5-10,13,15-16,19,24H,1,3-4,11-12,14,17-18H2,(H-,31,39)/p+1