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

Systemtic Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H24N4OS/c22-17(16-6-2-12-23-16)18-13-15-5-1-8-20(14-15)9-4-11-21-10-3-7-19-21/h2-3,6-7,10,12,15H,1,4-5,8-9,11,13-14H2,(H,18,22)/p+1/t15-/m1/s1