N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoro-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-3-fluorobenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoro-benzamide Formula: C20H22FN2O4+ MolecularWeight: 373.398083

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=CC=C2)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC(=CC=C2)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21FN2O4/c21-16-3-1-2-15(10-16)20(24)22-12-17(23-6-8-25-9-7-23)14-4-5-18-19(11-14)27-13-26-18/h1-5,10-11,17H,6-9,12-13H2,(H,22,24)/p+1/t17-/m1/s1