3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

Systemtic Name: 3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide Openeye Name: 3-[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methyl-2-furyl)methyl]propanamide CAS Name: 3-[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]-N-[(5-methyl-2-furanyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide Traditional Name: 3-[(3R)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methyl-2-furyl)methyl]propionamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CCC2CCC[NH+](C2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H30N2O3/c1-17-4-7-21(28-17)14-24-23(26)9-6-18-3-2-11-25(15-18)16-19-5-8-22-20(13-19)10-12-27-22/h4-5,7-8,13,18H,2-3,6,9-12,14-16H2,1H3,(H,24,26)/p+1/t18-/m1/s1