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

Systemtic Name: N-[[(3R)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[[3-(2-furyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[[3-(2-furanyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[3-(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(=C2)C3=CC=CO3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC(=C2)C3=CC=CO3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N2O2S/c25-22(21-9-4-12-27-21)23-14-18-6-2-10-24(16-18)15-17-5-1-7-19(13-17)20-8-3-11-26-20/h1,3-5,7-9,11-13,18H,2,6,10,14-16H2,(H,23,25)/p+1/t18-/m1/s1