6-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Formula: C20H27ClFN4O2S+ MolecularWeight: 441.970383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H26ClFN4O2S/c1-3-26(4-2)29(27,28)16-8-9-20(23-14-16)25-12-10-24(11-13-25)15-17-18(21)6-5-7-19(17)22/h5-9,14H,3-4,10-13,15H2,1-2H3/p+1