4-[[1-(1-quinoxalin-2-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[1-(1-quinoxalin-2-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[1-(1-quinoxalin-2-yl-4-piperidyl)triazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[1-[1-(2-quinoxalinyl)-4-piperidinyl]-4-triazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[1-(1-quinoxalin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[1-(1-quinoxalin-2-yl-4-piperidyl)triazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C20H25N8O+ MolecularWeight: 393.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)C[NH+]3CCNC(=O)C3)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)C[NH+]3CCNC(=O)C3)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C20H24N8O/c29-20-14-26(10-7-21-20)12-15-13-28(25-24-15)16-5-8-27(9-6-16)19-11-22-17-3-1-2-4-18(17)23-19/h1-4,11,13,16H,5-10,12,14H2,(H,21,29)/p+1