1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C16H25ClFN3+2 MolecularWeight: 313.841203

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CC[NH2+]CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[NH+](CCC1N2CC[NH2+]CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H23ClFN3/c17-15-2-1-3-16(18)14(15)12-20-8-4-13(5-9-20)21-10-6-19-7-11-21/h1-3,13,19H,4-12H2/p+2