2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethyl-1-pyrimidin-1-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethylpyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C30H37BrClN3O MolecularWeight: 570.99128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C=NC(=C1Cl)NC2CCC(CC2)C(C)(C)C)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCC1=[N+](C=NC(=C1Cl)NC2CCC(CC2)C(C)(C)C)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H36ClN3O.BrH/c1-5-26-28(31)29(33-25-17-15-24(16-18-25)30(2,3)4)32-20-34(26)19-27(35)23-13-11-22(12-14-23)21-9-7-6-8-10-21;/h6-14,20,24-25H,5,15-19H2,1-4H3;1H