N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenoxy-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenoxy-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-phenoxybenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenoxybenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenoxy-benzamide Formula: C25H26FN2O3+ MolecularWeight: 421.483943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O3/c26-20-12-10-19(11-13-20)23(28-14-16-30-17-15-28)18-27-25(29)22-8-4-5-9-24(22)31-21-6-2-1-3-7-21/h1-13,23H,14-18H2,(H,27,29)/p+1/t23-/m1/s1