(2S)-N-(3-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-fluorophenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-fluorophenyl)-2-(4-mesylpiperazin-1-ium-1-yl)propionamide Formula: C14H21FN3O3S+ MolecularWeight: 330.398243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H20FN3O3S/c1-11(14(19)16-13-5-3-4-12(15)10-13)17-6-8-18(9-7-17)22(2,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,16,19)/p+1/t11-/m0/s1