2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C24H36FN4O4S+ MolecularWeight: 495.630443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C24H35FN4O4S/c25-21-6-5-7-22(18-21)34(32,33)29-16-14-27(15-17-29)23(30)19-26-12-8-20(9-13-26)24(31)28-10-3-1-2-4-11-28/h5-7,18,20H,1-4,8-17,19H2/p+1