2-[1-ethyl-4-(4-hydroxyphenyl)-3-methyl-5-oxidanylidene-4-(4-piperazin-1-ylphenyl)-1,2,4-triazole-1,4-diium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-(4-hydroxyphenyl)-3-methyl-5-oxidanylidene-4-(4-piperazin-1-ylphenyl)-1,2,4-triazole-1,4-diium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-(4-hydroxyphenyl)-3-methyl-5-oxo-4-(4-piperazin-1-ylphenyl)-1,2,4-triazole-1,4-diium-1-yl]acetate CAS Name: 2-[1-ethyl-4-(4-hydroxyphenyl)-3-methyl-5-oxo-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazole-1,4-diium-1-yl]acetate IUPAC Name: 2-[1-ethyl-4-(4-hydroxyphenyl)-3-methyl-5-oxo-4-(4-piperazin-1-ylphenyl)-1,2,4-triazole-1,4-diium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-(4-hydroxyphenyl)-5-keto-3-methyl-4-(4-piperazinophenyl)-1,2,4-triazole-1,4-diium-1-yl]acetate Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)[N+](C(=N1)C)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=O)[N+](C(=N1)C)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O)CC(=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-3-27(16-22(30)31)23(32)28(17(2)25-27,20-8-10-21(29)11-9-20)19-6-4-18(5-7-19)26-14-12-24-13-15-26/h4-11,24H,3,12-16H2,1-2H3/p+1