2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H22ClFN3O+ MolecularWeight: 326.816783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H21ClFN3O/c17-15-9-13(18)2-1-12(15)10-20-5-7-21(8-6-20)11-16(22)19-14-3-4-14/h1-2,9,14H,3-8,10-11H2,(H,19,22)/p+1