1-morpholin-4-yl-2-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C26H31N6O3+ MolecularWeight: 475.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O3/c33-24(30-13-15-35-16-14-30)20-29-9-11-31(12-10-29)26(34)23-19-32(18-21-5-2-1-3-6-21)28-25(23)22-7-4-8-27-17-22/h1-8,17,19H,9-16,18,20H2/p+1