1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C18H27FN3O3S+ MolecularWeight: 384.488683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H26FN3O3S/c1-15-5-2-3-8-21(15)14-18(23)20-9-11-22(12-10-20)26(24,25)17-7-4-6-16(19)13-17/h4,6-7,13,15H,2-3,5,8-12,14H2,1H3/p+1/t15-/m0/s1