N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)sulfanyl-propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[(2-fluorophenyl)thio]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)sulfanylpropanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[(2-fluorophenyl)thio]propionamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3OS/c1-2-24-12-14-25(15-13-24)18-9-7-17(8-10-18)23-21(26)11-16-27-20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)/p+1