N-[[(3R)-1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-(4-dibenzothiophenylmethyl)-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2SC4=CC=CC=C34)CNC(=O)C5=CC=CO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2SC4=CC=CC=C34)CNC(=O)C5=CC=CO5

InChI

InChI=1S/C24H24N2O2S/c27-24(21-10-5-13-28-21)25-14-17-6-4-12-26(15-17)16-18-7-3-9-20-19-8-1-2-11-22(19)29-23(18)20/h1-3,5,7-11,13,17H,4,6,12,14-16H2,(H,25,27)/p+1/t17-/m1/s1