(2S)-2-(4-fluoranylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide

Systemtic Name: (2S)-2-(4-fluoranylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Openeye Name: (2S)-2-(4-fluorophenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide CAS Name: (2S)-2-(4-fluorophenoxy)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]propanamide IUPAC Name: (2S)-2-(4-fluorophenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Traditional Name: (2S)-2-(4-fluorophenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propionamide Formula: C17H27FN3O2+ MolecularWeight: 324.413583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CC[NH+](CC1)C)OC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NCCCN1CC[NH+](CC1)C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C17H26FN3O2/c1-14(23-16-6-4-15(18)5-7-16)17(22)19-8-3-9-21-12-10-20(2)11-13-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1