N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[(3R)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]methyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NCC2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-28-21-10-8-18(9-11-21)13-24(27)25-15-19-5-4-12-26(16-19)17-22-14-20-6-2-3-7-23(20)29-22/h2-3,6-11,14,19H,4-5,12-13,15-17H2,1H3,(H,25,27)/p+1/t19-/m1/s1