3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[(3R)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2,4-dimethoxybenzyl)propionamide Formula: C26H33N2O4+ MolecularWeight: 437.55122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C26H32N2O4/c1-30-22-11-10-21(25(15-22)31-2)16-27-26(29)12-9-19-6-5-13-28(17-19)18-23-14-20-7-3-4-8-24(20)32-23/h3-4,7-8,10-11,14-15,19H,5-6,9,12-13,16-18H2,1-2H3,(H,27,29)/p+1/t19-/m1/s1