N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O3/c24-20(15-6-7-18-19(12-15)26-11-10-25-18)22-17-5-3-9-23(14-17)13-16-4-1-2-8-21-16/h1-2,4,6-8,12,17H,3,5,9-11,13-14H2,(H,22,24)/p+1/t17-/m1/s1