N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-fluorobenzyl)-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23FN3O3S2+ MolecularWeight: 412.521923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22FN3O3S2/c1-20(13-15-4-2-5-16(19)12-15)17(23)14-21-7-9-22(10-8-21)27(24,25)18-6-3-11-26-18/h2-6,11-12H,7-10,13-14H2,1H3/p+1