3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

Systemtic Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidin-1-iumyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]propionamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)CCC2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H33N3O3/c1-27(14-11-22-6-2-3-12-26-22)25(29)10-8-20-5-4-13-28(18-20)19-21-7-9-23-24(17-21)31-16-15-30-23/h2-3,6-7,9,12,17,20H,4-5,8,10-11,13-16,18-19H2,1H3/p+1/t20-/m1/s1