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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O3/c26-21-10-6-19(7-11-21)24(28-14-16-30-17-15-28)18-27-25(29)20-8-12-23(13-9-20)31-22-4-2-1-3-5-22/h1-13,24H,14-18H2,(H,27,29)/p+1/t24-/m1/s1