2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(3-methylbutanoyl)-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-(3-methylbutanoyl)-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-(3-methylbutanoyl)-1-[1-(2-thienyl)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-(3-methyl-1-oxobutyl)-1-(1-thiophen-2-ylethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)-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-isovaleryl-1-[1-(2-thienyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C24H31ClN7O2S+ MolecularWeight: 517.06664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)C4=CC=CS4

Isomeric SMILES

CC(C)CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)C4=CC=CS4

InChI

InChI=1S/C24H30ClN7O2S/c1-16(2)11-23(34)30-8-9-32(18(14-30)12-21(26)33,17(3)19-5-4-10-35-19)22-13-20(25)28-24(29-22)31-7-6-27-15-31/h4-7,10,13,15-18H,8-9,11-12,14H2,1-3H3,(H-,26,33)/p+1