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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H26FN3O3S/c1-15-4-3-7-20(13-15)14-18(23)21-8-10-22(11-9-21)26(24,25)17-6-2-5-16(19)12-17/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3/p+1/t15-/m0/s1