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

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-isopropoxy-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-propan-2-yloxybenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-isopropoxy-benzamide Formula: C22H28FN2O3+ MolecularWeight: 387.467723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3

InChI

InChI=1S/C22H27FN2O3/c1-16(2)28-20-9-5-18(6-10-20)22(26)24-15-21(25-11-13-27-14-12-25)17-3-7-19(23)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/p+1/t21-/m1/s1