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

Systemtic Name: N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)CNC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)CNC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N3O2/c28-24(22-13-18-7-1-3-9-21(18)26-22)25-14-17-6-5-11-27(15-17)16-20-12-19-8-2-4-10-23(19)29-20/h1-4,7-10,12-13,17,26H,5-6,11,14-16H2,(H,25,28)/p+1/t17-/m1/s1