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

Systemtic Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2OS/c23-20(19-11-6-14-24-19)21-15-18-10-5-13-22(16-18)12-4-9-17-7-2-1-3-8-17/h1-3,6-8,11,14,18H,5,10,12-13,15-16H2,(H,21,23)/p+1/t18-/m1/s1