2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloro-4-methoxy-phenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-4-(3-methyl-1-oxobutyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-chloro-4-methoxy-benzyl)-4-isovaleryl-piperazin-1-ium-2-yl]acetamide Formula: C26H32Cl2N7O3+ MolecularWeight: 561.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(C)CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C26H31Cl2N7O3/c1-17(2)10-25(37)33-8-9-35(19(14-33)12-23(29)36,15-18-4-5-21(38-3)20(27)11-18)24-13-22(28)31-26(32-24)34-7-6-30-16-34/h4-7,11,13,16-17,19H,8-10,12,14-15H2,1-3H3,(H-,29,36)/p+1