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

Systemtic Name: N-[[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[(3R)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-naphthamide Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)CNC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)CNC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H28N2O2/c29-26(24-9-3-7-21-6-1-2-8-23(21)24)27-16-20-5-4-13-28(18-20)17-19-10-11-25-22(15-19)12-14-30-25/h1-3,6-11,15,20H,4-5,12-14,16-18H2,(H,27,29)/p+1/t20-/m1/s1