2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]methanone Formula: C24H30NO6+ MolecularWeight: 428.4981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C24H29NO6/c1-28-20-3-5-21(6-4-20)31-16-19(26)15-25-10-8-17(9-11-25)24(27)18-2-7-22-23(14-18)30-13-12-29-22/h2-7,14,17,19,26H,8-13,15-16H2,1H3/p+1/t19-/m1/s1