1-(2-tert-butylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]urea

Systemtic Name: 1-(2-tert-butylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]urea Openeye Name: 1-(2-tert-butylphenyl)-3-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]urea CAS Name: 1-(2-tert-butylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]urea IUPAC Name: 1-(2-tert-butylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]urea Traditional Name: 1-(2-tert-butylphenyl)-3-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]urea Formula: C23H30ClFN3O+ MolecularWeight: 418.955203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H29ClFN3O/c1-23(2,3)18-7-4-5-10-21(18)27-22(29)26-16-11-13-28(14-12-16)15-17-19(24)8-6-9-20(17)25/h4-10,16H,11-15H2,1-3H3,(H2,26,27,29)/p+1