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

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C28H29N4O+ MolecularWeight: 437.55606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c33-28(29-25-12-6-2-7-13-25)23-16-18-31(19-17-23)20-24-21-32(26-14-8-3-9-15-26)30-27(24)22-10-4-1-5-11-22/h1-15,21,23H,16-20H2,(H,29,33)/p+1