1H-imidazol-2-yl-[1-(4-methoxy-1H-pyrimidin-4-yl)piperazin-1-ium-1-yl]methanone hydrochloride

Systemtic Name: 1H-imidazol-2-yl-[1-(4-methoxy-1H-pyrimidin-4-yl)piperazin-1-ium-1-yl]methanone hydrochloride Openeye Name: 1H-imidazol-2-yl-[1-(4-methoxy-1H-pyrimidin-4-yl)piperazin-1-ium-1-yl]methanone hydrochloride CAS Name: 1H-imidazol-2-yl-[1-(4-methoxy-1H-pyrimidin-4-yl)-1-piperazin-1-iumyl]methanone hydrochloride IUPAC Name: 1H-imidazol-2-yl-[1-(4-methoxy-1H-pyrimidin-4-yl)piperazin-1-ium-1-yl]methanone hydrochloride Traditional Name: 1H-imidazol-2-yl-[1-(4-methoxy-1H-pyrimidin-4-yl)piperazin-1-ium-1-yl]methanone hydrochloride Formula: C13H20ClN6O2+ MolecularWeight: 327.7899

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CNC=N1)[N+]2(CCNCC2)C(=O)C3=NC=CN3.Cl

Isomeric SMILES

COC1(C=CNC=N1)[N+]2(CCNCC2)C(=O)C3=NC=CN3.Cl

InChI

InChI=1S/C13H18N6O2.ClH/c1-21-13(2-3-15-10-18-13)19(8-6-14-7-9-19)12(20)11-16-4-5-17-11;/h2-5,10,14H,6-9H2,1H3,(H-,15,16,17,18,20);1H/p+1