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

Systemtic Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidin-1-iumyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H32N2O4/c1-18-14-21(29-2)7-8-22(18)26-25(28)10-6-19-4-3-11-27(16-19)17-20-5-9-23-24(15-20)31-13-12-30-23/h5,7-9,14-15,19H,3-4,6,10-13,16-17H2,1-2H3,(H,26,28)/p+1/t19-/m1/s1