1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]azepan-1-ium Formula: C17H26FN2O2S+ MolecularWeight: 341.463943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H25FN2O2S/c18-15-5-7-17(8-6-15)23(21,22)20-13-9-16(10-14-20)19-11-3-1-2-4-12-19/h5-8,16H,1-4,9-14H2/p+1