N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[[2-(2-furyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[[2-(2-furanyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[2-(2-furyl)benzyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C3=CC=CO3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C3=CC=CO3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N2O2S/c25-22(21-10-5-13-27-21)23-14-17-6-3-11-24(15-17)16-18-7-1-2-8-19(18)20-9-4-12-26-20/h1-2,4-5,7-10,12-13,17H,3,6,11,14-16H2,(H,23,25)/p+1/t17-/m1/s1