N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-diphenyl-3-pyrazolyl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCOCC5

InChI

InChI=1S/C27H32N6O3/c34-26(20-30-11-13-31(14-12-30)21-27(35)32-15-17-36-18-16-32)28-25-19-24(22-7-3-1-4-8-22)29-33(25)23-9-5-2-6-10-23/h1-10,19H,11-18,20-21H2,(H,28,34)/p+1