[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonyl-3-piperidyl]methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-[(3S)-1-methylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-(4-fluorobenzyl)piperazin-4-ium-1-yl]-[(3S)-1-mesyl-3-piperidyl]methanone Formula: C18H27FN3O3S+ MolecularWeight: 384.488683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H26FN3O3S/c1-26(24,25)22-8-2-3-16(14-22)18(23)21-11-9-20(10-12-21)13-15-4-6-17(19)7-5-15/h4-7,16H,2-3,8-14H2,1H3/p+1/t16-/m0/s1