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

Systemtic Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C26H31N6O2+ MolecularWeight: 459.56334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c33-23(30-14-8-3-9-15-30)20-29-16-18-31(19-17-29)26(34)24-27-25(21-10-4-1-5-11-21)32(28-24)22-12-6-2-7-13-22/h1-2,4-7,10-13H,3,8-9,14-20H2/p+1