2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O2/c32-25(30-15-17-33-18-16-30)21-29-13-11-28(12-14-29)19-23-20-31(24-9-5-2-6-10-24)27-26(23)22-7-3-1-4-8-22/h1-10,20H,11-19,21H2/p+1