N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H26FN2O5+ MolecularWeight: 417.450643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NCC(C3=CC=C(C=C3)F)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC[C@@H](C3=CC=C(C=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C22H25FN2O5/c1-27-19-12-16(13-20-21(19)30-11-10-29-20)22(26)24-14-18(25-6-8-28-9-7-25)15-2-4-17(23)5-3-15/h2-5,12-13,18H,6-11,14H2,1H3,(H,24,26)/p+1/t18-/m0/s1