N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-1-oxidanidyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-1-oxidanidyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-N-(2-methoxyphenyl)-1-oxido-pyridin-1-ium-3-sulfonamide CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-N-(2-methoxyphenyl)-1-oxido-3-pyridin-1-iumsulfonamide IUPAC Name: N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-1-oxidopyridin-1-ium-3-sulfonamide Traditional Name: N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-N-(2-methoxyphenyl)-1-oxido-pyridin-1-ium-3-sulfonamide Formula: C26H28FN3O5S MolecularWeight: 513.581023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

COC1=CC=CC=C1N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C26H28FN3O5S/c1-35-25-7-3-2-6-24(25)30(36(33,34)23-5-4-14-29(32)19-23)18-17-28-15-12-21(13-16-28)26(31)20-8-10-22(27)11-9-20/h2-11,14,19,21H,12-13,15-18H2,1H3