1-[4-(4-chlorophenyl)-1-oxidanyl-piperazin-1-ium-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)-1-oxidanyl-piperazin-1-ium-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone Openeye Name: 1-[4-(4-chlorophenyl)-1-hydroxy-piperazin-1-ium-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethanone CAS Name: 1-[4-(4-chlorophenyl)-1-hydroxy-1-piperazin-1-iumyl]-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)-1-hydroxypiperazin-1-ium-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone Traditional Name: 1-[4-(4-chlorophenyl)-1-hydroxy-piperazin-1-ium-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethanone Formula: C24H29ClN7O2+ MolecularWeight: 482.98576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)[N+]2(CCN(CC2)C3=CC=C(C=C3)Cl)O)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CC(=O)[N+]2(CCN(CC2)C3=CC=C(C=C3)Cl)O)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C24H29ClN7O2/c25-19-4-6-20(7-5-19)29-13-15-32(34,16-14-29)23(33)17-21-3-1-2-11-31(21)22-8-9-27-24(28-22)30-12-10-26-18-30/h4-10,12,18,21,34H,1-3,11,13-17H2/q+1