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

Systemtic Name: 2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloro-4-methoxy-phenyl)methyl]-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-1-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]-1-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-chloro-4-methoxy-benzyl)-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide Formula: C29H40Cl2N7O4S+ MolecularWeight: 653.6434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[N+]1(CCN(CC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCCCCCCS(=O)(=O)[N+]1(CCN(CC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C29H39Cl2N7O4S/c1-3-4-5-6-7-8-15-43(40,41)38(20-22-9-10-25(42-2)24(30)16-22)14-13-36(19-23(38)17-27(32)39)28-18-26(31)34-29(35-28)37-12-11-33-21-37/h9-12,16,18,21,23H,3-8,13-15,17,19-20H2,1-2H3,(H-,32,39)/p+1