2-[4-[(2S)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[(2S)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-ium-1-yl]acetamide Formula: C18H27FN3O3+ MolecularWeight: 352.423683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)CC(COC2=CC=C(C=C2)F)O

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)F)O

InChI

InChI=1S/C18H26FN3O3/c1-2-7-20-18(24)13-22-10-8-21(9-11-22)12-16(23)14-25-17-5-3-15(19)4-6-17/h2-6,16,23H,1,7-14H2,(H,20,24)/p+1/t16-/m0/s1