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

Systemtic Name: (4-methoxyphenyl)-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Openeye Name: (4-methoxyphenyl)-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride CAS Name: (4-methoxyphenyl)-[3-(1-piperidin-1-iumylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride IUPAC Name: (4-methoxyphenyl)-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Traditional Name: (4-methoxyphenyl)-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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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+]4CCCCC4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCCCC4.[Cl-]

InChI

InChI=1S/C22H25NO4.ClH/c1-25-18-8-5-16(6-9-18)22(24)17-7-10-20-21(13-17)27-19(15-26-20)14-23-11-3-2-4-12-23;/h5-10,13,19H,2-4,11-12,14-15H2,1H3;1H