N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c26-21(19-9-5-11-27-19)22-12-16-6-4-10-25(14-16)15-18-13-23-24-20(18)17-7-2-1-3-8-17/h1-3,5,7-9,11,13,16H,4,6,10,12,14-15H2,(H,22,26)(H,23,24)/p+1/t16-/m1/s1