1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-26-14-8-7-13-25(26)29-28(34)22-15-17-31(18-16-22)19-23-20-32(24-11-5-2-6-12-24)30-27(23)21-9-3-1-4-10-21/h1-14,20,22,33H,15-19H2,(H,29,34)/p+1