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

Systemtic Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethyl-1-pyrimidin-1-iumyl]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethylpyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[4-[(4-tert-butylcyclohexyl)amino]-5-chloro-6-ethyl-pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Formula: C30H37ClN3O+ MolecularWeight: 491.08728

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H36ClN3O/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/p+1