4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-cyclohexyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-cyclohexyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-cyclohexyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-cyclohexyl-piperazin-4-ium-1-carboxamide Formula: C18H26ClFN3O+ MolecularWeight: 354.869943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H25ClFN3O/c19-17-12-15(20)7-6-14(17)13-22-8-10-23(11-9-22)18(24)21-16-4-2-1-3-5-16/h6-7,12,16H,1-5,8-11,13H2,(H,21,24)/p+1