N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(3R)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-28-20-11-19(12-21(13-20)29-2)24(27)25-14-17-6-5-9-26(15-17)16-22-10-18-7-3-4-8-23(18)30-22/h3-4,7-8,10-13,17H,5-6,9,14-16H2,1-2H3,(H,25,27)/p+1/t17-/m1/s1