1-phenyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[(3R)-3-piperidin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O/c21-16(18-10-13-5-4-8-17-9-13)14-11-19-20(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-13,17H,4-5,8-10H2,(H,18,21)/p+1/t13-/m0/s1