2-[4-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C28H34N5O2+ MolecularWeight: 472.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5O2/c34-26(31-14-8-3-9-15-31)22-30-16-18-32(19-17-30)28(35)25-21-33(20-23-10-4-1-5-11-23)29-27(25)24-12-6-2-7-13-24/h1-2,4-7,10-13,21H,3,8-9,14-20,22H2/p+1