2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C25H29N6O3+ MolecularWeight: 461.53616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O3/c32-22(29-15-17-34-18-16-29)19-28-11-13-30(14-12-28)25(33)23-26-24(20-7-3-1-4-8-20)31(27-23)21-9-5-2-6-10-21/h1-10H,11-19H2/p+1