2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[2-[(3R)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[2-[(3R)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[2-[(3R)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[2-[(3R)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C20H27N3O3+2 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=C(C=C3)OCCO4)O

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C20H25N3O3/c24-17-4-2-8-23(14-17)20-16(3-1-7-22-20)13-21-12-15-5-6-18-19(11-15)26-10-9-25-18/h1,3,5-7,11,17,21,24H,2,4,8-10,12-14H2/p+2/t17-/m1/s1