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

Systemtic Name: 3-phenyl-1-(phenylmethyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1-benzylpiperidin-1-ium-4-yl)-3-phenyl-pyrazole-4-carboxamide CAS Name: 3-phenyl-1-(phenylmethyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1-benzylpiperidin-1-ium-4-yl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1-benzylpiperidin-1-ium-4-yl)-3-phenyl-pyrazole-4-carboxamide Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O/c34-29(30-26-16-18-32(19-17-26)20-23-10-4-1-5-11-23)27-22-33(21-24-12-6-2-7-13-24)31-28(27)25-14-8-3-9-15-25/h1-15,22,26H,16-21H2,(H,30,34)/p+1