(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(4-fluorobenzyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H23FN3O3S+ MolecularWeight: 344.424823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H22FN3O3S/c1-12(11-23(21,22)19-8-6-17-7-9-19)15(20)18-10-13-2-4-14(16)5-3-13/h2-5,12,17H,6-11H2,1H3,(H,18,20)/p+1/t12-/m1/s1