[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Systemtic Name: [1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Openeye Name: [1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: [1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone IUPAC Name: [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: [1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C22H25BrNO4+ MolecularWeight: 447.3422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24BrNO4/c1-26-19-5-3-18(23)12-17(19)14-24-8-6-15(7-9-24)22(25)16-2-4-20-21(13-16)28-11-10-27-20/h2-5,12-13,15H,6-11,14H2,1H3/p+1