2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-1-(1-thiophen-2-ylethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-1-(1-thiophen-2-ylethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(pyridine-3-carbonyl)-1-[1-(2-thienyl)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-1-(1-thiophen-2-ylethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)-1-(1-thiophen-2-ylethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-nicotinoyl-1-[1-(2-thienyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C25H26ClN8O2S+ MolecularWeight: 538.04434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(C1=CC=CS1)[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H25ClN8O2S/c1-17(20-5-3-11-37-20)34(23-13-21(26)30-25(31-23)33-8-7-29-16-33)10-9-32(15-19(34)12-22(27)35)24(36)18-4-2-6-28-14-18/h2-8,11,13-14,16-17,19H,9-10,12,15H2,1H3,(H-,27,35)/p+1