N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C16H23N4OS+ MolecularWeight: 319.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21)/p+1/t13-/m1/s1