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

Systemtic Name: N-cyclobutyl-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclobutyl-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclobutyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclobutyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclobutyl-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C18H25FN3O3+ MolecularWeight: 350.407803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3CCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCC3)F

InChI

InChI=1S/C18H24FN3O3/c1-25-14-6-5-12(15(19)9-14)11-22-8-7-20-18(24)16(22)10-17(23)21-13-3-2-4-13/h5-6,9,13,16H,2-4,7-8,10-11H2,1H3,(H,20,24)(H,21,23)/p+1/t16-/m1/s1