2-[[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methyl]-1-oxidanylidene-indazol-1-ium-3-one

Systemtic Name: 2-[[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methyl]-1-oxidanylidene-indazol-1-ium-3-one Openeye Name: 2-[[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methyl]-1-oxo-indazol-1-ium-3-one CAS Name: 2-[[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methyl]-1-oxo-3-indazol-1-iumone IUPAC Name: 2-[[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methyl]-1-oxoindazol-1-ium-3-one Traditional Name: 1-keto-2-[[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methyl]indazolin-1-ium-3-one Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=NN2)OC3CCC(CC3)CN4C(=O)C5=CC=CC=C5[N+]4=O

Isomeric SMILES

CC1=C(C=CC2=C1C=NN2)OC3CCC(CC3)CN4C(=O)C5=CC=CC=C5[N+]4=O

InChI

InChI=1S/C22H23N4O3/c1-14-18-12-23-24-19(18)10-11-21(14)29-16-8-6-15(7-9-16)13-25-22(27)17-4-2-3-5-20(17)26(25)28/h2-5,10-12,15-16H,6-9,13H2,1H3,(H,23,24)/q+1