1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C19H29FN3O3S+ MolecularWeight: 398.515263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H28FN3O3S/c1-2-17-5-3-4-10-23(17)19(24)15-21-11-13-22(14-12-21)27(25,26)18-8-6-16(20)7-9-18/h6-9,17H,2-5,10-15H2,1H3/p+1/t17-/m0/s1