1-[4-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]butyl]-4-methyl-pyridin-2-one chloride

Systemtic Name: 1-[4-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]butyl]-4-methyl-pyridin-2-one chloride Openeye Name: 1-[4-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]butyl]-4-methyl-pyridin-2-one chloride CAS Name: 1-[4-[4-(2-tert-butyl-6-propyl-4-pyrimidinyl)-1-piperazin-1-iumyl]butyl]-4-methyl-2-pyridinone chloride IUPAC Name: 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-ium-1-yl]butyl]-4-methylpyridin-2-one chloride Traditional Name: 1-[4-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]butyl]-4-methyl-2-pyridone chloride Formula: C25H40ClN5O MolecularWeight: 462.071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)C(C)(C)C)N2CC[NH+](CC2)CCCCN3C=CC(=CC3=O)C.[Cl-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)C(C)(C)C)N2CC[NH+](CC2)CCCCN3C=CC(=CC3=O)C.[Cl-]

InChI

InChI=1S/C25H39N5O.ClH/c1-6-9-21-19-22(27-24(26-21)25(3,4)5)29-16-14-28(15-17-29)11-7-8-12-30-13-10-20(2)18-23(30)31;/h10,13,18-19H,6-9,11-12,14-17H2,1-5H3;1H