5-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-6-piperidin-1-ium-1-yl-pyrimidine chloride

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-6-piperidin-1-ium-1-yl-pyrimidine chloride Openeye Name: 5-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-6-piperidin-1-ium-1-yl-pyrimidine chloride CAS Name: 5-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-6-(1-piperidin-1-iumyl)pyrimidine chloride IUPAC Name: 5-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-6-piperidin-1-ium-1-ylpyrimidine chloride Traditional Name: 4-methyl-5-p-anisyl-2-phenyl-6-piperidin-1-ium-1-yl-pyrimidine chloride Formula: C24H28ClN3O MolecularWeight: 409.95162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)[NH+]3CCCCC3)CC4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)[NH+]3CCCCC3)CC4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C24H27N3O.ClH/c1-18-22(17-19-11-13-21(28-2)14-12-19)24(27-15-7-4-8-16-27)26-23(25-18)20-9-5-3-6-10-20;/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3;1H