4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide

Systemtic Name: 4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide Openeye Name: 4-(2,6-difluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide CAS Name: 4-(2,6-difluorophenyl)sulfonyl-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,6-difluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperazine-1-carboxamide Traditional Name: 4-(2,6-difluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide Formula: C20H31F2N4O3S+ MolecularWeight: 445.546946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F)[NH+]3CCCCC3

InChI

InChI=1S/C20H30F2N4O3S/c1-20(2,25-9-4-3-5-10-25)15-23-19(27)24-11-13-26(14-12-24)30(28,29)18-16(21)7-6-8-17(18)22/h6-8H,3-5,9-15H2,1-2H3,(H,23,27)/p+1