(2R)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C20H31FN3O3S+ MolecularWeight: 412.541843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H30FN3O3S/c1-16(20(25)22(2)17-8-4-3-5-9-17)23-12-14-24(15-13-23)28(26,27)19-11-7-6-10-18(19)21/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3/p+1/t16-/m1/s1