1-phenyl-N-(piperidin-1-ium-4-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-(piperidin-1-ium-4-ylmethyl)pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-(piperidin-1-ium-4-ylmethyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-(4-piperidin-1-iumylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-(piperidin-1-ium-4-ylmethyl)pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-(piperidin-1-ium-4-ylmethyl)pyrazole-4-carboxamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

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