1-[1-(4-tert-butylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride

Systemtic Name: 1-[1-(4-tert-butylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride Openeye Name: 1-[2-(4-tert-butylphenyl)-1-methyl-ethyl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride CAS Name: 1-[1-(4-tert-butylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride IUPAC Name: 1-[1-(4-tert-butylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride Traditional Name: [1-[2-(4-tert-butylphenyl)-1-methyl-ethyl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-yl]amine chloride Formula: C17H28ClN3 MolecularWeight: 309.87732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)(C)C)[NH+]2CCCN=C2N.[Cl-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)[NH+]2CCCN=C2N.[Cl-]

InChI

InChI=1S/C17H27N3.ClH/c1-13(20-11-5-10-19-16(20)18)12-14-6-8-15(9-7-14)17(2,3)4;/h6-9,13H,5,10-12H2,1-4H3,(H2,18,19);1H