1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c33-27(29-23-13-16-31(17-14-23)19-21-8-3-1-4-9-21)25-20-32(24-11-5-2-6-12-24)30-26(25)22-10-7-15-28-18-22/h1-12,15,18,20,23H,13-14,16-17,19H2,(H,29,33)/p+1