(4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride

Systemtic Name: (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Openeye Name: (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride CAS Name: (4-methoxyphenyl)-[3-(4-morpholin-4-iumylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride IUPAC Name: (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Traditional Name: (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCOCC4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCOCC4.[Cl-]

InChI

InChI=1S/C21H23NO5.ClH/c1-24-17-5-2-15(3-6-17)21(23)16-4-7-19-20(12-16)27-18(14-26-19)13-22-8-10-25-11-9-22;/h2-7,12,18H,8-11,13-14H2,1H3;1H