2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H23FN3O3+ MolecularWeight: 336.381223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC=C)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC=C)F

InChI

InChI=1S/C17H22FN3O3/c1-3-6-19-16(22)10-15-17(23)20-7-8-21(15)11-12-4-5-13(24-2)9-14(12)18/h3-5,9,15H,1,6-8,10-11H2,2H3,(H,19,22)(H,20,23)/p+1/t15-/m1/s1