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

Systemtic Name: N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinesulfonamide IUPAC Name: N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]pyridine-3-sulfonamide Formula: C20H28FN4O2S+ MolecularWeight: 407.525323

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H27FN4O2S/c1-3-25(4-2)28(26,27)18-9-10-20(22-15-18)24-13-11-23(12-14-24)16-17-7-5-6-8-19(17)21/h5-10,15H,3-4,11-14,16H2,1-2H3/p+1