N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H30N2O5/c1-26-19-12-16(13-20(27-2)22(19)28-3)14-21(25)23-15-17(18-8-7-11-29-18)24-9-5-4-6-10-24/h7-8,11-13,17H,4-6,9-10,14-15H2,1-3H3,(H,23,25)/p+1/t17-/m1/s1