2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-propanoyl-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-propanoyl-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-propanoyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-4-(1-oxopropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]-4-propanoylpiperazin-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-propionyl-piperazin-1-ium-2-yl]acetamide Formula: C24H28Cl2N7O3+ MolecularWeight: 533.43022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C24H27Cl2N7O3/c1-3-23(35)31-8-9-33(17(13-31)11-21(27)34,14-16-4-5-19(36-2)18(25)10-16)22-12-20(26)29-24(30-22)32-7-6-28-15-32/h4-7,10,12,15,17H,3,8-9,11,13-14H2,1-2H3,(H-,27,34)/p+1