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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C15H22ClFN3O+ MolecularWeight: 314.806083

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[NH+](CC1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCCNC(=O)N1CC[NH+](CC1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C15H21ClFN3O/c1-2-5-18-15(21)20-8-6-19(7-9-20)11-12-3-4-13(17)10-14(12)16/h3-4,10H,2,5-9,11H2,1H3,(H,18,21)/p+1