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

Systemtic Name: N-[[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)CNC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)CNC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H27N3O2/c28-24(22-13-19-5-1-2-6-21(19)26-22)25-14-18-4-3-10-27(16-18)15-17-7-8-23-20(12-17)9-11-29-23/h1-2,5-8,12-13,18,26H,3-4,9-11,14-16H2,(H,25,28)/p+1/t18-/m1/s1