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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1-phenylcyclopropyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3(CC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C23H26FN3O3/c1-30-18-8-7-16(19(24)13-18)15-27-12-11-25-22(29)20(27)14-21(28)26-23(9-10-23)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,29)(H,26,28)/p+1/t20-/m1/s1