5-chloranyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-1H-pyridazin-6-one Formula: C16H22ClN6O+ MolecularWeight: 349.83848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C16H21ClN6O/c1-10(2)15-19-11(3)8-13(20-15)23-6-4-22(5-7-23)12-9-18-21-16(24)14(12)17/h8-10H,4-7H2,1-3H3,(H,21,24)/p+1